(Alcohols "an alcohol" NIL ((O (2 1)) (R (1 1))))
(Amides "an amide" NIL ((O (2 2)) (C (1 2) (3 1) (4 1)) (R1 (2 1))
                        (N (2 1) (5 1) (6 1)) (R2 (4 1)) (R3 (4 1))))
(an acid "an acid" NIL ((O (4 2)) (O (4 1)) (R (4 1))
                        (C (1 2) (2 1) (3 1))))
(Esters "an ester" NIL ((C (2 1) (5 1) (4 2)) (R1 (1 1)) (R2 (5 1))
                        (O (1 2)) (O (1 1) (3 1))))
(Steroids "a steroid" NIL ((C (19 1)) (C (20 1)) (R (14 1))
                           (C (5 1) (7 1)) (C (4 1) (12 1))
                           (C (10 1) (14 1)) (C (4 1) (16 1))
                           (C (9 1) (15 1)) (C (8 1) (16 1))
                           (C (6 1) (17 1)) (C (13 1) (18 1))
                           (C (5 1) (20 1)) (C (11 1) (19 1))
                           (C (3 1) (6 1) (19 1))
                           (C (8 1) (17 1) (18 1))
                           (C (7 1) (9 1) (20 1))
                           (C (10 1) (15 1) (19 1))
                           (C (11 1) (15 1) (20 1))
                           (C (1 1) (13 1) (14 1) (17 1))
                           (C (2 1) (12 1) (16 1) (18 1))))
(a primary alcohol "a primary alcohol" NIL ((R (2 1)) (O (1 1))))
(a-long-chain-alcohol "a long-chain alcohol" NIL ((O (3 1))
                                                  (R (3 1))
                                                  (C (1 1) (2 1))))
(DL-12-Propanediol "DL-12-Propanediol" NIL ((C (2 1) (5 1))
                                            (C (4 1) (1 1) (3 1))
                                            (C (2 1))
                                            (O (2 1))
                                            (O (1 1))))
(L-1-phosphatidyl-inositols "an L-1-phosphatidyl-inositol" NIL ((H
                                                                 (27
                                                                  1))
                                                                (O
                                                                 (19
                                                                  2))
                                                                (O
                                                                 (20
                                                                  2))
                                                                (O
                                                                 (28
                                                                  2))
                                                                (O
                                                                 (21
                                                                  1))
                                                                (O
                                                                 (22
                                                                  1))
                                                                (O
                                                                 (23
                                                                  1))
                                                                (O
                                                                 (24
                                                                  1))
                                                                (O
                                                                 (25
                                                                  1))
                                                                (O
                                                                 (28
                                                                  1))
                                                                (R
                                                                 (19
                                                                  1))
                                                                (R
                                                                 (20
                                                                  1))
                                                                (C
                                                                 (15 1)
                                                                 (27
                                                                  1))
                                                                (C
                                                                 (16 1)
                                                                 (27
                                                                  1))
                                                                (O
                                                                 (13 1)
                                                                 (19
                                                                  1))
                                                                (O
                                                                 (14 1)
                                                                 (28
                                                                  1))
                                                                (O
                                                                 (20 1)
                                                                 (27
                                                                  1))
                                                                (O
                                                                 (26 1)
                                                                 (28
                                                                  1))
                                                                (C
                                                                 (2 2)
                                                                 (11 1)
                                                                 (15
                                                                  1))
                                                                (C
                                                                 (3 2)
                                                                 (12 1)
                                                                 (17
                                                                  1))
                                                                (C
                                                                 (5 1)
                                                                 (22 1)
                                                                 (23
                                                                  1))
                                                                (C
                                                                 (6 1)
                                                                 (21 1)
                                                                 (24
                                                                  1))
                                                                (C
                                                                 (7 1)
                                                                 (21 1)
                                                                 (25
                                                                  1))
                                                                (C
                                                                 (8 1)
                                                                 (22 1)
                                                                 (26
                                                                  1))
                                                                (C
                                                                 (9 1)
                                                                 (23 1)
                                                                 (26
                                                                  1))
                                                                (C
                                                                 (18 1)
                                                                 (24 1)
                                                                 (25
                                                                  1))
                                                                (C
                                                                 (1 1)
                                                                 (13 1)
                                                                 (14 1)
                                                                 (17
                                                                  1))
                                                                (P
                                                                 (4 2)
                                                                 (10 1)
                                                                 (16 1)
                                                                 (18
                                                                  1))))
(Linalools "a linalool" NIL ((C (3 1) (4 2)) (C (9 1) (3 1))
                             (C (1 1) (2 1)) (C (1 2) (5 1) (6 1))
                             (C (4 1)) (C (4 1)) (C (9 1) (8 2))
                             (C (7 2)) (C (7 1) (2 1) (11 1) (10 1))
                             (C (9 1)) (O (9 1))))
(Alkylamines "an alkylamine" NIL ((N (2 1)) (R (1 1))))
(Aryl-Amines "an arylamine" NIL ((C (3 1) (4 2))
                                 (C (4 1) (5 1) (6 2))
                                 (C (1 1) (7 2))
                                 (C (2 1) (1 2))
                                 (N (2 1))
                                 (C (2 2) (7 1))
                                 (C (3 2) (6 1))))
(Quaternary-Amines "a quaternary amine" NIL ((R1 (2 1))
                                             (N
                                              (+ 1)
                                              (5 1)
                                              (1 1)
                                              (4 1)
                                              (3 1))
                                             (R2 (2 1))
                                             (R3 (2 1))
                                             (R (2 1))))
(Arylalkylamines "an arylalkylamine" NIL ((N (2 1)) (R (1 1))))
(N-Acetylarylalkylamines "an N-acetylarylalkylamine" NIL ((C (5 1))
                                                          (O (5 2))
                                                          (R (4 1))
                                                          (N
                                                           (3 1)
                                                           (5 1))
                                                          (C
                                                           (1 1)
                                                           (2 2)
                                                           (4 1))))
(Aldoxime "an aldoxime" NIL ((R (3 1)) (N (4 1) (3 2)) (C (1 1) (2 2))
                             (O (2 1))))
(N-Acylated-Amino-Acids "an N-acyl-L-amino acid" NIL ((O (7 2))
                                                      (O (8 2))
                                                      (O (- 1) (8 1))
                                                      (R (7 1))
                                                      (R (9 1))
                                                      (N (7 1) (9 1))
                                                      (C
                                                       (1 2)
                                                       (4 1)
                                                       (6 1))
                                                      (C
                                                       (2 2)
                                                       (3 1)
                                                       (9 1))
                                                      (C
                                                       (5 1)
                                                       (6 1)
                                                       (8 1))))
(N-Substituted-Amino-Acids "an N-substituted amino acid" NIL ((C
                                                               (3 2)
                                                               (4 1)
                                                               (5 1))
                                                              (N
                                                               (6 1)
                                                               (5 1))
                                                              (O (1 2))
                                                              (O (1 1))
                                                              (C
                                                               (2 1)
                                                               (1 1))
                                                              (R1
                                                               (2 1))))
(S-Substituted-N-Acetyl-L-Cysteines "an N-acetyl-L-cysteine-S-conjugate" NIL ((C
                                                                               (9
                                                                                1))
                                                                              (O
                                                                               (9
                                                                                2))
                                                                              (O
                                                                               (10
                                                                                2))
                                                                              (O
                                                                               (10
                                                                                1))
                                                                              (R
                                                                               (8
                                                                                1))
                                                                              (C
                                                                               (8
                                                                                1)
                                                                               (11
                                                                                1))
                                                                              (N
                                                                               (9
                                                                                1)
                                                                               (11
                                                                                1))
                                                                              (S
                                                                               (5
                                                                                1)
                                                                               (6
                                                                                1))
                                                                              (C
                                                                               (1
                                                                                1)
                                                                               (2
                                                                                2)
                                                                               (7
                                                                                1))
                                                                              (C
                                                                               (3
                                                                                2)
                                                                               (4
                                                                                1)
                                                                               (11
                                                                                1))
                                                                              (C
                                                                               (6
                                                                                1)
                                                                               (7
                                                                                1)
                                                                               (10
                                                                                1))))
(Aliphatic-Aldoximes "an aliphatic aldoxime" NIL ((C (3 1) (4 2) (2 1))
                                                  (R (1 1))
                                                  (H (1 1))
                                                  (N (1 2) (5 1))
                                                  (O (4 1))))
(Alpha-Amino-Acids "an alpha amino acid" NIL ((C (2 1) (3 1) (4 1))
                                              (C (1 1) (5 1) (6 2))
                                              (N (1 1))
                                              (R (1 1))
                                              (O (2 1))
                                              (O (2 2))))
(Aromatic-Amino-Acids "an aromatic amino acid" NIL ((N (6 1))
                                                    (O (5 2))
                                                    (O (5 1))
                                                    (R (6 1))
                                                    (C
                                                     (2 2)
                                                     (3 1)
                                                     (6 1))
                                                    (C
                                                     (1 1)
                                                     (4 1)
                                                     (5 1))))
(D-Amino-Acids "a D-amino acid" NIL ((N (6 1))
                                     (O (5 2))
                                     (O (5 1))
                                     (R1 (6 1))
                                     (C (6 1) (3 1) (2 2))
                                     (C (5 1) (4 1) (1 1))))
(L-Amino-Acids "an L-amino acid" NIL ((N (6 1))
                                      (O (5 1))
                                      (O (5 2))
                                      (R1 (6 1))
                                      (C (2 1) (3 2) (6 1))
                                      (C (1 1) (4 1) (5 1))))
(Amino-Acids-20 "a standard alpha amino acid" NIL ((N (6 1))
                                                   (O (5 2))
                                                   (O (5 1))
                                                   (R (6 1))
                                                   (C
                                                    (2 2)
                                                    (3 1)
                                                    (6 1))
                                                   (C
                                                    (1 1)
                                                    (4 1)
                                                    (5 1))))
(L-1-PHOSPHATIDYL-SERINE "an L-1-phosphatidylserine" NIL ((O (18 1))
                                                          (O
                                                           (6 1)
                                                           (21 1))
                                                          (O (6 2))
                                                          (C
                                                           (19 1)
                                                           (11 1))
                                                          (O (18 2))
                                                          (P
                                                           (2 1)
                                                           (3 2)
                                                           (12 1)
                                                           (13 1))
                                                          (C
                                                           (13 1)
                                                           (8 1))
                                                          (C
                                                           (7 1)
                                                           (18 1)
                                                           (22 1))
                                                          (C
                                                           (10 1)
                                                           (17 2)
                                                           (20 1))
                                                          (O
                                                           (9 1)
                                                           (19 1))
                                                          (O
                                                           (4 1)
                                                           (15 1))
                                                          (O (6 1))
                                                          (O
                                                           (7 1)
                                                           (6 1))
                                                          (R (15 1))
                                                          (C
                                                           (14 1)
                                                           (11 1)
                                                           (16 2))
                                                          (O (15 2))
                                                          (O (9 2))
                                                          (C
                                                           (1 1)
                                                           (5 2)
                                                           (8 1))
                                                          (C
                                                           (4 1)
                                                           (10 1)
                                                           (21 1))
                                                          (R (9 1))
                                                          (C
                                                           (19 1)
                                                           (2 1))
                                                          (N (8 1))))
(Lysine-or-DAP "an L-lysine or meso-2,6-diaminoheptanedioate" NIL ((C
                                                                    (2
                                                                     1)
                                                                    (7
                                                                     1))
                                                                   (C
                                                                    (3
                                                                     1)
                                                                    (1
                                                                     1))
                                                                   (C
                                                                    (8
                                                                     1)
                                                                    (2
                                                                     1))
                                                                   (C
                                                                    (5
                                                                     2)
                                                                    (6
                                                                     1)
                                                                    (7
                                                                     1))
                                                                   (O
                                                                    (4
                                                                     2))
                                                                   (O
                                                                    (4
                                                                     1))
                                                                   (C
                                                                    (9
                                                                     1)
                                                                    (1
                                                                     1)
                                                                    (4
                                                                     1))
                                                                   (C
                                                                    (10
                                                                     1)
                                                                    (11
                                                                     1)
                                                                    (3
                                                                     1))
                                                                   (N
                                                                    (7
                                                                     1))
                                                                   (N
                                                                    (8
                                                                     1))
                                                                   (R1
                                                                    (8
                                                                     1))))
(S-Substituted-L-Cysteines "an L-cysteine-S-conjugate" NIL ((N (8 1))
                                                            (O (7 2))
                                                            (O (7 1))
                                                            (R (6 1))
                                                            (C
                                                             (6 1)
                                                             (8 1))
                                                            (S
                                                             (4 1)
                                                             (5 1))
                                                            (C
                                                             (2 2)
                                                             (3 1)
                                                             (8 1))
                                                            (C
                                                             (1 1)
                                                             (5 1)
                                                             (7 1))))
(S-Alkyl-L-Cysteines "an S-alkyl-L-cysteine" NIL ((N (8 1))
                                                  (O (7 2))
                                                  (O (7 1))
                                                  (R (6 1))
                                                  (C (6 1) (8 1))
                                                  (S (4 1) (5 1))
                                                  (C (2 2) (3 1) (8 1))
                                                  (C
                                                   (1 1)
                                                   (5 1)
                                                   (7 1))))
(N-Carbamoyl-D-Amino-Acids "an N-carbamoyl D-amino acid" NIL ((N (7 1))
                                                              (O (7 2))
                                                              (O (8 2))
                                                              (O (8 1))
                                                              (R (9 1))
                                                              (N
                                                               (7 1)
                                                               (9 1))
                                                              (C
                                                               (1 1)
                                                               (2 2)
                                                               (6 1))
                                                              (C
                                                               (3 2)
                                                               (4 1)
                                                               (9 1))
                                                              (C
                                                               (5 1)
                                                               (6 1)
                                                               (8 1))))
(N-Carbamoyl-L-Amino-Acids "an N-carbamoyl-L-2-amino acid" NIL ((N
                                                                 (7 1))
                                                                (O
                                                                 (7 2))
                                                                (O
                                                                 (8 2))
                                                                (O
                                                                 (8 1))
                                                                (R
                                                                 (9 1))
                                                                (N
                                                                 (7 1)
                                                                 (9 1))
                                                                (C
                                                                 (1 1)
                                                                 (2 2)
                                                                 (6 1))
                                                                (C
                                                                 (3 2)
                                                                 (4 1)
                                                                 (9 1))
                                                                (C
                                                                 (5 1)
                                                                 (6 1)
                                                                 (8
                                                                  1))))
(alpha-N-Peptidyl-LGlutamine "a protein-L-glutamine" NIL ((C
                                                           (8 1)
                                                           (4 1))
                                                          (O (10 2))
                                                          (C
                                                           (4 1)
                                                           (6 1)
                                                           (7 1))
                                                          (C
                                                           (1 1)
                                                           (3 1))
                                                          (O (8 2))
                                                          (C
                                                           (3 1)
                                                           (9 2)
                                                           (11 1))
                                                          (N
                                                           (3 1)
                                                           (10 1))
                                                          (C
                                                           (1 1)
                                                           (5 2)
                                                           (13 1))
                                                          (O (6 2))
                                                          (C
                                                           (2 2)
                                                           (7 1)
                                                           (12 1))
                                                          (O (6 1))
                                                          (|Peptides|
                                                           (10 1))
                                                          (N (8 1))))
(PROT-CYS "a protein L-cysteine" NIL ((C (7 1) (5 1) (6 1))
                                      (|Protein| (6 1))
                                      (|Protein| (7 1))
                                      (S (5 1))
                                      (C (4 1) (1 1))
                                      (C (2 1) (1 1) (8 2))
                                      (N (1 1) (3 1))
                                      (O (6 2))))
(Protein-D-serines "a protein D-serine" NIL ((|Protein| (2 1))
                                             (C (6 1) (1 1) (3 2))
                                             (O (2 2))
                                             (N (6 1) (5 1))
                                             (|Protein| (4 1))
                                             (C (2 1) (4 1) (7 1))
                                             (C (6 1) (8 1))
                                             (O (7 1))))
(Protein-Glycines "a protein glycine" NIL ((|Protein| (2 1))
                                           (C (6 2) (1 1) (3 1))
                                           (C (4 1) (2 1))
                                           (N (5 1) (3 1))
                                           (|Protein| (4 1))
                                           (O (2 2))))
(Protein-Histidines "a protein histidine" NIL ((C (11 1) (4 1))
                                               (|Protein| (3 1))
                                               (C (4 1) (2 1) (5 2))
                                               (C (1 1) (3 1) (9 1))
                                               (O (3 2))
                                               (N
                                                (13 :AROMATIC)
                                                (11 :AROMATIC))
                                               (N
                                                (13 :AROMATIC)
                                                (12 :AROMATIC)
                                                (8 1))
                                               (H (7 1))
                                               (N (4 1) (10 1))
                                               (|Protein| (9 1))
                                               (C
                                                (1 1)
                                                (6 :AROMATIC)
                                                (12 :AROMATIC))
                                               (C
                                                (7 :AROMATIC)
                                                (11 :AROMATIC))
                                               (C
                                                (7 :AROMATIC)
                                                (6 :AROMATIC))))
(Protein-hydroxyprolines "a protein hydroxyproline" NIL ((C
                                                          (10 1)
                                                          (7 1)
                                                          (5 1))
                                                         (|Protein|
                                                          (3 1))
                                                         (N
                                                          (8 1)
                                                          (5 1)
                                                          (2 1))
                                                         (C
                                                          (9 1)
                                                          (8 1)
                                                          (6 2))
                                                         (C
                                                          (3 1)
                                                          (1 1))
                                                         (O (4 2))
                                                         (C
                                                          (8 1)
                                                          (1 1))
                                                         (C
                                                          (4 1)
                                                          (3 1)
                                                          (7 1))
                                                         (|Protein|
                                                          (4 1))
                                                         (O (1 1))))
(Protein-L-Arginines "a protein L-arginine" NIL ((C (6 1) (10 1))
                                                 (C (9 1) (3 2) (5 1))
                                                 (O (2 2))
                                                 (C
                                                  (16 1)
                                                  (13 2)
                                                  (11 1))
                                                 (|Protein| (2 1))
                                                 (C (11 1) (1 1))
                                                 (|Protein| (12 1))
                                                 (O (15 2))
                                                 (N (14 1) (2 1))
                                                 (C (14 1) (1 1))
                                                 (N (4 1) (6 1))
                                                 (N (15 1) (7 1))
                                                 (N (4 2))
                                                 (C
                                                  (15 1)
                                                  (9 1)
                                                  (10 1))
                                                 (C
                                                  (14 1)
                                                  (12 1)
                                                  (8 2))
                                                 (N (4 1))))
(Protein-L-Asparagine "a protein L-asparagine" NIL ((C
                                                     (7 1)
                                                     (4 1)
                                                     (3 1))
                                                    (O (5 2))
                                                    (C
                                                     (8 1)
                                                     (5 1)
                                                     (1 1))
                                                    (O (1 1))
                                                    (C
                                                     (6 1)
                                                     (3 1)
                                                     (2 2))
                                                    (|Protein| (5 1))
                                                    (C (1 1))
                                                    (N (3 1) (9 1))
                                                    (|Protein| (8 1))))
(Protein-L-Aspartates "a protein L-aspartate" NIL ((C (6 1) (5 1))
                                                   (|Protein| (3 1))
                                                   (C
                                                    (5 1)
                                                    (2 1)
                                                    (10 2))
                                                   (O (6 1))
                                                   (C
                                                    (1 1)
                                                    (3 1)
                                                    (8 1))
                                                   (C
                                                    (1 1)
                                                    (4 1)
                                                    (7 2))
                                                   (O (6 2))
                                                   (N (5 1) (9 1))
                                                   (|Protein| (8 1))
                                                   (O (3 2))))
(PROTEIN-L-BETA-ISOASPARTATES "a protein L-beta-isoaspartate" NIL ((C
                                                                    (5
                                                                     1)
                                                                    (4
                                                                     1))
                                                                   (C
                                                                    (4
                                                                     1)
                                                                    (10
                                                                     1)
                                                                    (9
                                                                     2))
                                                                   (|Protein|
                                                                    (5
                                                                     1))
                                                                   (C
                                                                    (1
                                                                     1)
                                                                    (2
                                                                     1)
                                                                    (7
                                                                     1))
                                                                   (C
                                                                    (1
                                                                     1)
                                                                    (3
                                                                     1)
                                                                    (6
                                                                     2))
                                                                   (O
                                                                    (5
                                                                     2))
                                                                   (N
                                                                    (4
                                                                     1)
                                                                    (8
                                                                     1))
                                                                   (|Protein|
                                                                    (7
                                                                     1))
                                                                   (O
                                                                    (2
                                                                     2))
                                                                   (O
                                                                    (2
                                                                     1))))
(Protein-L-lysine "a protein L-lysine" NIL ((N (4 1))
                                            (O (8 2))
                                            (|Protein| (8 1))
                                            (C (5 1) (1 1))
                                            (C (6 1) (4 1))
                                            (C (7 1) (5 1))
                                            (C (9 1) (6 1))
                                            (C (9 1) (3 1) (2 2))
                                            (C (8 1) (7 1) (10 1))
                                            (N (9 1) (11 1))
                                            (|Protein| (10 1))))
(Protein-L-serines "a protein L-serine" NIL ((|Protein| (2 1))
                                             (C (3 2) (1 1) (6 1))
                                             (O (2 2))
                                             (N (5 1) (6 1))
                                             (|Protein| (4 1))
                                             (C (7 1) (4 1) (2 1))
                                             (C (8 1) (6 1))
                                             (O (7 1))))
(Protein-Tyrosines "a protein L-tyrosine" NIL ((C
                                                (6 :AROMATIC)
                                                (9 :AROMATIC))
                                               (O (10 2))
                                               (C
                                                (7 :AROMATIC)
                                                (8 :AROMATIC))
                                               (C (5 1) (11 1) (10 1))
                                               (C (6 1) (4 1))
                                               (C
                                                (8 :AROMATIC)
                                                (1 :AROMATIC)
                                                (5 1))
                                               (C
                                                (17 1)
                                                (9 :AROMATIC)
                                                (3 :AROMATIC))
                                               (C
                                                (6 :AROMATIC)
                                                (3 :AROMATIC))
                                               (C
                                                (7 :AROMATIC)
                                                (1 :AROMATIC))
                                               (C (15 1) (2 2) (4 1))
                                               (N (4 1) (13 1))
                                               (|Protein| (13 1))
                                               (C (11 1) (12 1) (14 2))
                                               (O (13 2))
                                               (N (10 1) (16 1))
                                               (|Protein| (15 1))
                                               (O (7 1))))
(alpha-N-Peptidyl-LGlutamate "an alpha-N-peptidyl-L-glutamate" NIL ((C
                                                                     (9
                                                                      1)
                                                                     (3
                                                                      1))
                                                                    (O
                                                                     (7
                                                                      2))
                                                                    (C
                                                                     (1
                                                                      1)
                                                                     (5
                                                                      1))
                                                                    (O
                                                                     (9
                                                                      1))
                                                                    (C
                                                                     (3
                                                                      1)
                                                                     (6
                                                                      1)
                                                                     (7
                                                                      1))
                                                                    (N
                                                                     (5
                                                                      1)
                                                                     (11
                                                                      1))
                                                                    (C
                                                                     (2
                                                                      2)
                                                                     (5
                                                                      1)
                                                                     (8
                                                                      1))
                                                                    (O
                                                                     (7
                                                                      1))
                                                                    (C
                                                                     (1
                                                                      1)
                                                                     (4
                                                                      1)
                                                                     (13
                                                                      2))
                                                                    (|Peptides|
                                                                     (11
                                                                      1))
                                                                    (C
                                                                     (6
                                                                      1)
                                                                     (10
                                                                      1)
                                                                     (12
                                                                      2))
                                                                    (O
                                                                     (11
                                                                      2))
                                                                    (O
                                                                     (9
                                                                      2))))
(Protein-gamma-glutamates "a protein-gamma-glutamate" NIL ((N (9 1))
                                                           (O (7 2))
                                                           (O (8 2))
                                                           (C
                                                            (8 1)
                                                            (5 1))
                                                           (C
                                                            (9 1)
                                                            (4 1))
                                                           (|Protein|
                                                            (8 1))
                                                           (C
                                                            (9 1)
                                                            (10 1)
                                                            (2 2))
                                                           (C
                                                            (6 1)
                                                            (4 1)
                                                            (3 2))
                                                           (C
                                                            (7 1)
                                                            (5 1)
                                                            (1 1))
                                                           (O (7 1))))
(Peptide-C-terminal-Glycines "C-terminal peptide glycine" NIL ((C
                                                                (5 2)
                                                                (6 1)
                                                                (2 1))
                                                               (C
                                                                (3 1)
                                                                (1 1))
                                                               (N
                                                                (4 1)
                                                                (2 1))
                                                               (|Protein|
                                                                (3 1))
                                                               (O
                                                                (1 2))
                                                               (O
                                                                (1 1))))
(Protein-N-methyl-histidines "a protein Ntau-methyl-histidine" NIL ((C
                                                                     (11
                                                                      1)
                                                                     (4
                                                                      1))
                                                                    (|Protein|
                                                                     (3
                                                                      1))
                                                                    (C
                                                                     (4
                                                                      1)
                                                                     (2
                                                                      1)
                                                                     (5
                                                                      2))
                                                                    (C
                                                                     (1
                                                                      1)
                                                                     (3
                                                                      1)
                                                                     (7
                                                                      1))
                                                                    (O
                                                                     (3
                                                                      2))
                                                                    (N
                                                                     (10
                                                                      2)
                                                                     (9
                                                                      1)
                                                                     (13
                                                                      1))
                                                                    (N
                                                                     (4
                                                                      1)
                                                                     (8
                                                                      1))
                                                                    (|Protein|
                                                                     (7
                                                                      1))
                                                                    (C
                                                                     (6
                                                                      1)
                                                                     (11
                                                                      2))
                                                                    (C
                                                                     (6
                                                                      2)
                                                                     (12
                                                                      1))
                                                                    (C
                                                                     (1
                                                                      1)
                                                                     (12
                                                                      1)
                                                                     (9
                                                                      2))
                                                                    (N
                                                                     (10
                                                                      1)
                                                                     (11
                                                                      1))
                                                                    (C
                                                                     (6
                                                                      1))))
(Protein-3-phospho-L-histidines "a protein-Npi-phospho-L-histidine" NIL ((C
                                                                          (4
                                                                           1)
                                                                          (9
                                                                           1))
                                                                         (|Protein|
                                                                          (3
                                                                           1))
                                                                         (C
                                                                          (5
                                                                           2)
                                                                          (2
                                                                           1)
                                                                          (4
                                                                           1))
                                                                         (C
                                                                          (7
                                                                           1)
                                                                          (3
                                                                           1)
                                                                          (1
                                                                           1))
                                                                         (O
                                                                          (3
                                                                           2))
                                                                         (N
                                                                          (10
                                                                           :AROMATIC)
                                                                          (11
                                                                           :AROMATIC))
                                                                         (N
                                                                          (8
                                                                           1)
                                                                          (4
                                                                           1))
                                                                         (|Protein|
                                                                          (7
                                                                           1))
                                                                         (C
                                                                          (10
                                                                           :AROMATIC)
                                                                          (12
                                                                           :AROMATIC)
                                                                          (1
                                                                           1))
                                                                         (C
                                                                          (9
                                                                           :AROMATIC)
                                                                          (6
                                                                           :AROMATIC))
                                                                         (C
                                                                          (12
                                                                           :AROMATIC)
                                                                          (6
                                                                           :AROMATIC))
                                                                         (N
                                                                          (9
                                                                           :AROMATIC)
                                                                          (11
                                                                           :AROMATIC)
                                                                          (16
                                                                           1))
                                                                         (O
                                                                          (17
                                                                           2))
                                                                         (O
                                                                          (17
                                                                           1))
                                                                         (O
                                                                          (17
                                                                           1))
                                                                         (O
                                                                          (12
                                                                           1)
                                                                          (17
                                                                           1))
                                                                         (P
                                                                          (16
                                                                           1)
                                                                          (14
                                                                           1)
                                                                          (15
                                                                           1)
                                                                          (13
                                                                           2))))
(Protein-N-phosphohistidine "a protein-Ntau-phospho-L-histidine" NIL ((C
                                                                       (9
                                                                        1)
                                                                       (4
                                                                        1))
                                                                      (|Protein|
                                                                       (3
                                                                        1))
                                                                      (C
                                                                       (4
                                                                        1)
                                                                       (2
                                                                        1)
                                                                       (5
                                                                        2))
                                                                      (C
                                                                       (1
                                                                        1)
                                                                       (3
                                                                        1)
                                                                       (7
                                                                        1))
                                                                      (O
                                                                       (3
                                                                        2))
                                                                      (N
                                                                       (11
                                                                        :AROMATIC)
                                                                       (9
                                                                        :AROMATIC))
                                                                      (N
                                                                       (4
                                                                        1)
                                                                       (8
                                                                        1))
                                                                      (|Protein|
                                                                       (7
                                                                        1))
                                                                      (C
                                                                       (1
                                                                        1)
                                                                       (6
                                                                        :AROMATIC)
                                                                       (10
                                                                        :AROMATIC))
                                                                      (C
                                                                       (12
                                                                        :AROMATIC)
                                                                       (9
                                                                        :AROMATIC))
                                                                      (C
                                                                       (12
                                                                        :AROMATIC)
                                                                       (6
                                                                        :AROMATIC))
                                                                      (N
                                                                       (11
                                                                        :AROMATIC)
                                                                       (10
                                                                        :AROMATIC)
                                                                       (15
                                                                        1))
                                                                      (P
                                                                       (15
                                                                        1)
                                                                       (14
                                                                        1)
                                                                       (16
                                                                        1)
                                                                       (17
                                                                        2))
                                                                      (O
                                                                       (13
                                                                        1))
                                                                      (O
                                                                       (12
                                                                        1)
                                                                       (13
                                                                        1))
                                                                      (O
                                                                       (13
                                                                        1))
                                                                      (O
                                                                       (13
                                                                        2))))
(Cytochrome-c-arginines "[cytochrome c]-L-arginine" NIL ((C
                                                          (10 1)
                                                          (6 1))
                                                         (C
                                                          (5 1)
                                                          (3 2)
                                                          (9 1))
                                                         (O (2 2))
                                                         (C
                                                          (11 1)
                                                          (13 2)
                                                          (16 1))
                                                         (|Protein|
                                                          (2 1))
                                                         (C
                                                          (1 1)
                                                          (11 1))
                                                         (|Protein|
                                                          (12 1))
                                                         (O (15 2))
                                                         (N
                                                          (2 1)
                                                          (14 1))
                                                         (C
                                                          (1 1)
                                                          (14 1))
                                                         (N
                                                          (6 1)
                                                          (4 1))
                                                         (N
                                                          (7 1)
                                                          (15 1))
                                                         (N (4 2))
                                                         (C
                                                          (10 1)
                                                          (9 1)
                                                          (15 1))
                                                         (C
                                                          (8 2)
                                                          (12 1)
                                                          (14 1))
                                                         (N (4 1))))
(PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS "a protein L-beta-isoaspartate alpha-methyl ester" NIL ((C
                                                                                                   (4
                                                                                                    1)
                                                                                                   (5
                                                                                                    1))
                                                                                                  (C
                                                                                                   (9
                                                                                                    2)
                                                                                                   (10
                                                                                                    1)
                                                                                                   (4
                                                                                                    1))
                                                                                                  (|Protein|
                                                                                                   (5
                                                                                                    1))
                                                                                                  (C
                                                                                                   (7
                                                                                                    1)
                                                                                                   (2
                                                                                                    1)
                                                                                                   (1
                                                                                                    1))
                                                                                                  (C
                                                                                                   (6
                                                                                                    2)
                                                                                                   (3
                                                                                                    1)
                                                                                                   (1
                                                                                                    1))
                                                                                                  (O
                                                                                                   (5
                                                                                                    2))
                                                                                                  (N
                                                                                                   (8
                                                                                                    1)
                                                                                                   (4
                                                                                                    1))
                                                                                                  (|Protein|
                                                                                                   (7
                                                                                                    1))
                                                                                                  (O
                                                                                                   (2
                                                                                                    2))
                                                                                                  (O
                                                                                                   (2
                                                                                                    1)
                                                                                                   (11
                                                                                                    1))
                                                                                                  (C
                                                                                                   (10
                                                                                                    1))))
(CPD-8649 "a protein L-allysine" NIL ((O (7 1))
                                      (|Protein| (7 1))
                                      (C (11 2) (4 1))
                                      (C (3 1) (5 1))
                                      (C (4 1) (6 1))
                                      (C (5 1) (8 1))
                                      (C (1 1) (2 1) (8 1))
                                      (C (9 1) (6 1) (7 1))
                                      (N (10 1) (8 1))
                                      (|Protein| (9 1))
                                      (O (3 2))))
(Tubulin-L-Lysine "an [alpha-tubuline]-L-lysine" NIL ((N (4 1))
                                                      (O (8 2))
                                                      (|Protein| (8 1))
                                                      (C (1 1) (5 1))
                                                      (C (4 1) (6 1))
                                                      (C (5 1) (7 1))
                                                      (C (6 1) (9 1))
                                                      (C
                                                       (2 2)
                                                       (3 1)
                                                       (9 1))
                                                      (C
                                                       (10 1)
                                                       (7 1)
                                                       (8 1))
                                                      (N (11 1) (9 1))
                                                      (|Protein|
                                                       (10 1))))
(Tubulin-acetyl-L-lysine "an [alpha-tubulin]-N6-acetyl-L-lysine" NIL ((N
                                                                       (4
                                                                        1)
                                                                       (12
                                                                        1))
                                                                      (O
                                                                       (8
                                                                        2))
                                                                      (|Protein|
                                                                       (8
                                                                        1))
                                                                      (C
                                                                       (5
                                                                        1)
                                                                       (1
                                                                        1))
                                                                      (C
                                                                       (6
                                                                        1)
                                                                       (4
                                                                        1))
                                                                      (C
                                                                       (7
                                                                        1)
                                                                       (5
                                                                        1))
                                                                      (C
                                                                       (9
                                                                        1)
                                                                       (6
                                                                        1))
                                                                      (C
                                                                       (9
                                                                        1)
                                                                       (3
                                                                        1)
                                                                       (2
                                                                        2))
                                                                      (C
                                                                       (8
                                                                        1)
                                                                       (7
                                                                        1)
                                                                       (10
                                                                        1))
                                                                      (N
                                                                       (9
                                                                        1)
                                                                       (11
                                                                        1))
                                                                      (|Protein|
                                                                       (10
                                                                        1))
                                                                      (C
                                                                       (1
                                                                        1)
                                                                       (13
                                                                        1)
                                                                       (14
                                                                        2))
                                                                      (C
                                                                       (12
                                                                        1))
                                                                      (O
                                                                       (12
                                                                        2))))
(LDL-receptor-L-serine "[low-density-lipoprotein receptor]-L-serine" NIL ((|Protein|
                                                                           (2
                                                                            1))
                                                                          (C
                                                                           (6
                                                                            1)
                                                                           (1
                                                                            1)
                                                                           (3
                                                                            2))
                                                                          (O
                                                                           (2
                                                                            2))
                                                                          (N
                                                                           (6
                                                                            1)
                                                                           (5
                                                                            1))
                                                                          (|Protein|
                                                                           (4
                                                                            1))
                                                                          (C
                                                                           (2
                                                                            1)
                                                                           (4
                                                                            1)
                                                                           (7
                                                                            1))
                                                                          (C
                                                                           (6
                                                                            1)
                                                                           (8
                                                                            1))
                                                                          (O
                                                                           (7
                                                                            1))))
(LDL-receptor-O-phospho-L-serine "[low-density-lipoprotein receptor]-O-phospho-L-serine" NIL ((|Protein|
                                                                                               (2
                                                                                                1))
                                                                                              (C
                                                                                               (3
                                                                                                2)
                                                                                               (1
                                                                                                1)
                                                                                               (6
                                                                                                1))
                                                                                              (O
                                                                                               (2
                                                                                                2))
                                                                                              (N
                                                                                               (5
                                                                                                1)
                                                                                               (6
                                                                                                1))
                                                                                              (|Protein|
                                                                                               (4
                                                                                                1))
                                                                                              (C
                                                                                               (7
                                                                                                1)
                                                                                               (4
                                                                                                1)
                                                                                               (2
                                                                                                1))
                                                                                              (C
                                                                                               (8
                                                                                                1)
                                                                                               (6
                                                                                                1))
                                                                                              (O
                                                                                               (7
                                                                                                1)
                                                                                               (12
                                                                                                1))
                                                                                              (O
                                                                                               (12
                                                                                                1))
                                                                                              (O
                                                                                               (12
                                                                                                2))
                                                                                              (O
                                                                                               (12
                                                                                                2))
                                                                                              (P
                                                                                               (8
                                                                                                1)
                                                                                               (9
                                                                                                1)
                                                                                               (10
                                                                                                2)
                                                                                               (11
                                                                                                2))))
(Protein-tyrosine-phosphates "a protein-L-tyrosine phosphate" NIL ((C
                                                                    (9
                                                                     :AROMATIC)
                                                                    (6
                                                                     :AROMATIC))
                                                                   (O
                                                                    (10
                                                                     2))
                                                                   (C
                                                                    (8
                                                                     :AROMATIC)
                                                                    (7
                                                                     :AROMATIC))
                                                                   (C
                                                                    (10
                                                                     1)
                                                                    (11
                                                                     1)
                                                                    (5
                                                                     1))
                                                                   (C
                                                                    (4
                                                                     1)
                                                                    (6
                                                                     1))
                                                                   (C
                                                                    (5
                                                                     1)
                                                                    (1
                                                                     :AROMATIC)
                                                                    (8
                                                                     :AROMATIC))
                                                                   (C
                                                                    (3
                                                                     :AROMATIC)
                                                                    (9
                                                                     :AROMATIC)
                                                                    (17
                                                                     1))
                                                                   (C
                                                                    (3
                                                                     :AROMATIC)
                                                                    (6
                                                                     :AROMATIC))
                                                                   (C
                                                                    (1
                                                                     :AROMATIC)
                                                                    (7
                                                                     :AROMATIC))
                                                                   (C
                                                                    (4
                                                                     1)
                                                                    (2
                                                                     2)
                                                                    (15
                                                                     1))
                                                                   (N
                                                                    (13
                                                                     1)
                                                                    (4
                                                                     1))
                                                                   (|Protein|
                                                                    (13
                                                                     1))
                                                                   (C
                                                                    (14
                                                                     2)
                                                                    (12
                                                                     1)
                                                                    (11
                                                                     1))
                                                                   (O
                                                                    (13
                                                                     2))
                                                                   (N
                                                                    (16
                                                                     1)
                                                                    (10
                                                                     1))
                                                                   (|Protein|
                                                                    (15
                                                                     1))
                                                                   (O
                                                                    (7
                                                                     1)
                                                                    (18
                                                                     1))
                                                                   (C
                                                                    (17
                                                                     1)
                                                                    (20
                                                                     1)
                                                                    (21
                                                                     1)
                                                                    (19
                                                                     2))
                                                                   (O
                                                                    (18
                                                                     2))
                                                                   (O
                                                                    (18
                                                                     1))
                                                                   (O
                                                                    (18
                                                                     1))))
(Acetylated-Chitosans "a partly acetylated chitosan" NIL ((N (18 1))
                                                          (N (20 1))
                                                          (O (9 1))
                                                          (O (10 1))
                                                          (O (11 1))
                                                          (O (21 1))
                                                          (O (23 1))
                                                          (O (24 1))
                                                          (C
                                                           (3 1)
                                                           (25 1))
                                                          (C
                                                           (4 1)
                                                           (26 1))
                                                          (C
                                                           (5 1)
                                                           (27 1))
                                                          (O
                                                           (17 1)
                                                           (26 1))
                                                          (O
                                                           (25 1)
                                                           (28 1))
                                                          (O
                                                           (27 1)
                                                           (29 1))
                                                          (O
                                                           (28 1)
                                                           (31 1))
                                                          (O
                                                           (29 1)
                                                           (30 1))
                                                          (C
                                                           (48 1)
                                                           (12 1)
                                                           (18 1))
                                                          (C
                                                           (1 1)
                                                           (17 1)
                                                           (23 1))
                                                          (C
                                                           (44 1)
                                                           (21 1)
                                                           (28 1))
                                                          (C
                                                           (2 1)
                                                           (24 1)
                                                           (29 1))
                                                          (C
                                                           (6 1)
                                                           (19 1)
                                                           (22 1))
                                                          (C
                                                           (32 1)
                                                           (21 1)
                                                           (25 1))
                                                          (C
                                                           (7 1)
                                                           (18 1)
                                                           (30 1))
                                                          (C
                                                           (8 1)
                                                           (20 1)
                                                           (31 1))
                                                          (C
                                                           (9 1)
                                                           (13 1)
                                                           (22 1))
                                                          (C
                                                           (10 1)
                                                           (12 1)
                                                           (30 1))
                                                          (C
                                                           (11 1)
                                                           (14 1)
                                                           (31 1))
                                                          (C
                                                           (13 1)
                                                           (15 1)
                                                           (19 1))
                                                          (C
                                                           (14 1)
                                                           (16 1)
                                                           (20 1))
                                                          (C
                                                           (16 1)
                                                           (23 1)
                                                           (26 1))
                                                          (C
                                                           (15 1)
                                                           (24 1)
                                                           (27 1))
                                                          (O
                                                           (43 1)
                                                           (22 1))
                                                          (N (39 1))
                                                          (O (37 1))
                                                          (O (40 1))
                                                          (O (41 1))
                                                          (C
                                                           (42 1)
                                                           (34 1))
                                                          (O
                                                           (42 1)
                                                           (43 1))
                                                          (C
                                                           (40 1)
                                                           (43 1)
                                                           (33 1))
                                                          (C
                                                           (41 1)
                                                           (39 1)
                                                           (35 1))
                                                          (C
                                                           (42 1)
                                                           (40 1)
                                                           (36 1))
                                                          (C
                                                           (41 1)
                                                           (38 1)
                                                           (37 1))
                                                          (C
                                                           (39 1)
                                                           (38 1)
                                                           (32 1))
                                                          (N
                                                           (45 1)
                                                           (19 1))
                                                          (C
                                                           (46 1)
                                                           (47 2)
                                                           (44 1))
                                                          (C (45 1))
                                                          (O (45 2))
                                                          (O
                                                           (17 1)
                                                           (56 1))
                                                          (O (51 1))
                                                          (O (55 1))
                                                          (C
                                                           (49 1)
                                                           (57 1))
                                                          (O
                                                           (57 1)
                                                           (58 1))
                                                          (O (58 1))
                                                          (C
                                                           (59 1)
                                                           (55 1)
                                                           (58 1))
                                                          (C
                                                           (50 1)
                                                           (54 1)
                                                           (56 1))
                                                          (C
                                                           (48 1)
                                                           (55 1)
                                                           (57 1))
                                                          (C
                                                           (51 1)
                                                           (52 1)
                                                           (56 1))
                                                          (C
                                                           (52 1)
                                                           (53 1)
                                                           (54 1))
                                                          (N
                                                           (54 1)
                                                           (60 1))
                                                          (C
                                                           (59 1)
                                                           (61 1)
                                                           (62 2))
                                                          (C (60 1))
                                                          (O (60 2))))
(NAcMur-Peptide-Undecaprenols "a N-acetylmuramoyl-pentapeptide-diphosphoundecaprenol" NIL ((C
                                                                                            (4
                                                                                             1)
                                                                                            (5
                                                                                             1)
                                                                                            (2
                                                                                             2))
                                                                                           (O
                                                                                            (1
                                                                                             2))
                                                                                           (C
                                                                                            (4
                                                                                             1))
                                                                                           (C
                                                                                            (1
                                                                                             1)
                                                                                            (27
                                                                                             1)
                                                                                            (3
                                                                                             1))
                                                                                           (N
                                                                                            (1
                                                                                             1)
                                                                                            (8
                                                                                             1))
                                                                                           (C
                                                                                            (110
                                                                                             1)
                                                                                            (7
                                                                                             1))
                                                                                           (C
                                                                                            (6
                                                                                             1)
                                                                                            (8
                                                                                             1))
                                                                                           (C
                                                                                            (5
                                                                                             1)
                                                                                            (7
                                                                                             1)
                                                                                            (9
                                                                                             1))
                                                                                           (C
                                                                                            (8
                                                                                             1)
                                                                                            (10
                                                                                             2)
                                                                                            (11
                                                                                             1))
                                                                                           (O
                                                                                            (9
                                                                                             2))
                                                                                           (N
                                                                                            (9
                                                                                             1)
                                                                                            (13
                                                                                             1))
                                                                                           (R1
                                                                                            (13
                                                                                             1))
                                                                                           (C
                                                                                            (11
                                                                                             1)
                                                                                            (12
                                                                                             1)
                                                                                            (14
                                                                                             1))
                                                                                           (C
                                                                                            (13
                                                                                             1)
                                                                                            (15
                                                                                             2)
                                                                                            (16
                                                                                             1))
                                                                                           (O
                                                                                            (14
                                                                                             2))
                                                                                           (N
                                                                                            (14
                                                                                             1)
                                                                                            (20
                                                                                             1))
                                                                                           (C
                                                                                            (20
                                                                                             1)
                                                                                            (21
                                                                                             1)
                                                                                            (18
                                                                                             2))
                                                                                           (O
                                                                                            (17
                                                                                             2))
                                                                                           (C
                                                                                            (20
                                                                                             1))
                                                                                           (C
                                                                                            (16
                                                                                             1)
                                                                                            (17
                                                                                             1)
                                                                                            (19
                                                                                             1))
                                                                                           (N
                                                                                            (17
                                                                                             1)
                                                                                            (26
                                                                                             1))
                                                                                           (C
                                                                                            (26
                                                                                             1)
                                                                                            (24
                                                                                             1)
                                                                                            (23
                                                                                             2))
                                                                                           (O
                                                                                            (22
                                                                                             2))
                                                                                           (O
                                                                                            (22
                                                                                             1))
                                                                                           (C
                                                                                            (26
                                                                                             1))
                                                                                           (C
                                                                                            (21
                                                                                             1)
                                                                                            (22
                                                                                             1)
                                                                                            (25
                                                                                             1))
                                                                                           (N
                                                                                            (4
                                                                                             1)
                                                                                            (28
                                                                                             1))
                                                                                           (C
                                                                                            (27
                                                                                             1)
                                                                                            (29
                                                                                             1)
                                                                                            (30
                                                                                             2))
                                                                                           (C
                                                                                            (28
                                                                                             1)
                                                                                            (32
                                                                                             1)
                                                                                            (31
                                                                                             1))
                                                                                           (O
                                                                                            (28
                                                                                             2))
                                                                                           (C
                                                                                            (29
                                                                                             1))
                                                                                           (O
                                                                                            (29
                                                                                             1)
                                                                                            (33
                                                                                             1))
                                                                                           (C
                                                                                            (32
                                                                                             1)
                                                                                            (35
                                                                                             1)
                                                                                            (36
                                                                                             1))
                                                                                           (C
                                                                                            (43
                                                                                             1)
                                                                                            (35
                                                                                             1)
                                                                                            (38
                                                                                             1))
                                                                                           (C
                                                                                            (33
                                                                                             1)
                                                                                            (34
                                                                                             1)
                                                                                            (45
                                                                                             1))
                                                                                           (C
                                                                                            (33
                                                                                             1)
                                                                                            (37
                                                                                             1)
                                                                                            (42
                                                                                             1))
                                                                                           (C
                                                                                            (43
                                                                                             1)
                                                                                            (36
                                                                                             1)
                                                                                            (46
                                                                                             1))
                                                                                           (C
                                                                                            (34
                                                                                             1)
                                                                                            (44
                                                                                             1))
                                                                                           (C
                                                                                            (42
                                                                                             1)
                                                                                            (41
                                                                                             2)
                                                                                            (40
                                                                                             1))
                                                                                           (C
                                                                                            (39
                                                                                             1))
                                                                                           (O
                                                                                            (39
                                                                                             2))
                                                                                           (N
                                                                                            (36
                                                                                             1)
                                                                                            (39
                                                                                             1))
                                                                                           (O
                                                                                            (34
                                                                                             1)
                                                                                            (37
                                                                                             1))
                                                                                           (O
                                                                                            (38
                                                                                             1))
                                                                                           (O
                                                                                            (35
                                                                                             1))
                                                                                           (O
                                                                                            (37
                                                                                             1)
                                                                                            (49
                                                                                             1))
                                                                                           (O
                                                                                            (49
                                                                                             1)
                                                                                            (48
                                                                                             1))
                                                                                           (P
                                                                                            (47
                                                                                             1)
                                                                                            (83
                                                                                             1)
                                                                                            (50
                                                                                             1)
                                                                                            (51
                                                                                             2))
                                                                                           (P
                                                                                            (46
                                                                                             1)
                                                                                            (47
                                                                                             1)
                                                                                            (53
                                                                                             1)
                                                                                            (52
                                                                                             2))
                                                                                           (O
                                                                                            (48
                                                                                             1))
                                                                                           (O
                                                                                            (48
                                                                                             2))
                                                                                           (O
                                                                                            (49
                                                                                             2))
                                                                                           (O
                                                                                            (49
                                                                                             1))
                                                                                           (C
                                                                                            (55
                                                                                             1)
                                                                                            (109
                                                                                             1))
                                                                                           (C
                                                                                            (54
                                                                                             1)
                                                                                            (56
                                                                                             2))
                                                                                           (C
                                                                                            (55
                                                                                             2)
                                                                                            (57
                                                                                             1)
                                                                                            (58
                                                                                             1))
                                                                                           (C
                                                                                            (56
                                                                                             1)
                                                                                            (59
                                                                                             1))
                                                                                           (C
                                                                                            (56
                                                                                             1))
                                                                                           (C
                                                                                            (57
                                                                                             1)
                                                                                            (60
                                                                                             1))
                                                                                           (C
                                                                                            (59
                                                                                             1)
                                                                                            (61
                                                                                             2))
                                                                                           (C
                                                                                            (60
                                                                                             2)
                                                                                            (62
                                                                                             1)
                                                                                            (63
                                                                                             1))
                                                                                           (C
                                                                                            (61
                                                                                             1)
                                                                                            (64
                                                                                             1))
                                                                                           (C
                                                                                            (61
                                                                                             1))
                                                                                           (C
                                                                                            (62
                                                                                             1)
                                                                                            (65
                                                                                             1))
                                                                                           (C
                                                                                            (64
                                                                                             1)
                                                                                            (66
                                                                                             2))
                                                                                           (C
                                                                                            (65
                                                                                             2)
                                                                                            (67
                                                                                             1)
                                                                                            (68
                                                                                             1))
                                                                                           (C
                                                                                            (66
                                                                                             1))
                                                                                           (C
                                                                                            (66
                                                                                             1))
                                                                                           (C
                                                                                            (84
                                                                                             1)
                                                                                            (71
                                                                                             2)
                                                                                            (70
                                                                                             1))
                                                                                           (C
                                                                                            (69
                                                                                             1))
                                                                                           (C
                                                                                            (69
                                                                                             2)
                                                                                            (72
                                                                                             1))
                                                                                           (C
                                                                                            (71
                                                                                             1)
                                                                                            (73
                                                                                             1))
                                                                                           (C
                                                                                            (72
                                                                                             1)
                                                                                            (74
                                                                                             1))
                                                                                           (C
                                                                                            (73
                                                                                             1)
                                                                                            (76
                                                                                             2)
                                                                                            (75
                                                                                             1))
                                                                                           (C
                                                                                            (74
                                                                                             1))
                                                                                           (C
                                                                                            (74
                                                                                             2)
                                                                                            (77
                                                                                             1))
                                                                                           (C
                                                                                            (76
                                                                                             1)
                                                                                            (78
                                                                                             1))
                                                                                           (C
                                                                                            (77
                                                                                             1)
                                                                                            (79
                                                                                             1))
                                                                                           (C
                                                                                            (78
                                                                                             1)
                                                                                            (81
                                                                                             2)
                                                                                            (80
                                                                                             1))
                                                                                           (C
                                                                                            (79
                                                                                             1))
                                                                                           (C
                                                                                            (79
                                                                                             2)
                                                                                            (82
                                                                                             1))
                                                                                           (C
                                                                                            (81
                                                                                             1)
                                                                                            (83
                                                                                             1))
                                                                                           (O
                                                                                            (48
                                                                                             1)
                                                                                            (82
                                                                                             1))
                                                                                           (C
                                                                                            (69
                                                                                             1)
                                                                                            (85
                                                                                             1))
                                                                                           (C
                                                                                            (84
                                                                                             1)
                                                                                            (88
                                                                                             1))
                                                                                           (C
                                                                                            (89
                                                                                             1)
                                                                                            (88
                                                                                             2)
                                                                                            (87
                                                                                             1))
                                                                                           (C
                                                                                            (86
                                                                                             1))
                                                                                           (C
                                                                                            (85
                                                                                             1)
                                                                                            (86
                                                                                             2))
                                                                                           (C
                                                                                            (86
                                                                                             1)
                                                                                            (90
                                                                                             1))
                                                                                           (C
                                                                                            (89
                                                                                             1)
                                                                                            (93
                                                                                             1))
                                                                                           (C
                                                                                            (94
                                                                                             1)
                                                                                            (93
                                                                                             2)
                                                                                            (92
                                                                                             1))
                                                                                           (C
                                                                                            (91
                                                                                             1))
                                                                                           (C
                                                                                            (90
                                                                                             1)
                                                                                            (91
                                                                                             2))
                                                                                           (C
                                                                                            (91
                                                                                             1)
                                                                                            (95
                                                                                             1))
                                                                                           (C
                                                                                            (94
                                                                                             1)
                                                                                            (98
                                                                                             1))
                                                                                           (C
                                                                                            (99
                                                                                             1)
                                                                                            (98
                                                                                             2)
                                                                                            (97
                                                                                             1))
                                                                                           (C
                                                                                            (96
                                                                                             1))
                                                                                           (C
                                                                                            (95
                                                                                             1)
                                                                                            (96
                                                                                             2))
                                                                                           (C
                                                                                            (96
                                                                                             1)
                                                                                            (100
                                                                                             1))
                                                                                           (C
                                                                                            (99
                                                                                             1)
                                                                                            (103
                                                                                             1))
                                                                                           (C
                                                                                            (104
                                                                                             1)
                                                                                            (103
                                                                                             2)
                                                                                            (102
                                                                                             1))
                                                                                           (C
                                                                                            (101
                                                                                             1))
                                                                                           (C
                                                                                            (100
                                                                                             1)
                                                                                            (101
                                                                                             2))
                                                                                           (C
                                                                                            (101
                                                                                             1)
                                                                                            (105
                                                                                             1))
                                                                                           (C
                                                                                            (104
                                                                                             1)
                                                                                            (108
                                                                                             1))
                                                                                           (C
                                                                                            (109
                                                                                             1)
                                                                                            (108
                                                                                             2)
                                                                                            (107
                                                                                             1))
                                                                                           (C
                                                                                            (106
                                                                                             1))
                                                                                           (C
                                                                                            (105
                                                                                             1)
                                                                                            (106
                                                                                             2))
                                                                                           (C
                                                                                            (106
                                                                                             1)
                                                                                            (54
                                                                                             1))
                                                                                           (R1
                                                                                            (6
                                                                                             1))))
(Oligosaccharide-Phosphate "an oligosaccharide phosphate" NIL ((C
                                                                (8 1))
                                                               (O
                                                                (8 2))
                                                               (O
                                                                (5 1))
                                                               (O
                                                                (9 1))
                                                               (C
                                                                (3 1)
                                                                (10 1))
                                                               (N
                                                                (12 1)
                                                                (8 1))
                                                               (O
                                                                (11 1)
                                                                (10 1))
                                                               (C
                                                                (1 1)
                                                                (2 2)
                                                                (6 1))
                                                               (C
                                                                (4 1)
                                                                (13 1)
                                                                (12 1))
                                                               (C
                                                                (5 1)
                                                                (7 1)
                                                                (13 1))
                                                               (C
                                                                (7 1)
                                                                (14 1)
                                                                (12 1))
                                                               (C
                                                                (6 1)
                                                                (9 1)
                                                                (11 1))
                                                               (C
                                                                (9 1)
                                                                (10 1)
                                                                (19 1))
                                                               (O
                                                                (11 1)
                                                                (15 1))
                                                               (P
                                                                (14 1)
                                                                (18 1)
                                                                (16 2)
                                                                (17 1))
                                                               (O
                                                                (15 2))
                                                               (O
                                                                (15 1))
                                                               (O
                                                                (15 1))
                                                               (O
                                                                (13 1)
                                                                (24 1))
                                                               (C
                                                                (28 1)
                                                                (21 1)
                                                                (25 1))
                                                               (C
                                                                (20 1)
                                                                (22 1)
                                                                (33 1))
                                                               (C
                                                                (21 1)
                                                                (23 1)
                                                                (30 1))
                                                               (C
                                                                (22 1)
                                                                (24 1)
                                                                (32 1))
                                                               (C
                                                                (19 1)
                                                                (23 1)
                                                                (28 1))
                                                               (C
                                                                (20 1)
                                                                (29 1))
                                                               (C
                                                                (32 1)
                                                                (31 2)
                                                                (27 1))
                                                               (C
                                                                (26 1))
                                                               (O
                                                                (20 1)
                                                                (24 1))
                                                               (O
                                                                (25 1))
                                                               (O
                                                                (22 1))
                                                               (O
                                                                (26 2))
                                                               (N
                                                                (23 1)
                                                                (26 1))
                                                               (O
                                                                (21 1)
                                                                (38 1))
                                                               (C
                                                                (40 1)
                                                                (35 1)
                                                                (39 1))
                                                               (C
                                                                (34 1)
                                                                (36 1)
                                                                (41 1))
                                                               (C
                                                                (35 1)
                                                                (37 1)
                                                                (43 1))
                                                               (C
                                                                (36 1)
                                                                (38 1)
                                                                (42 1))
                                                               (C
                                                                (33 1)
                                                                (37 1)
                                                                (40 1))
                                                               (C
                                                                (34 1)
                                                                (62 1))
                                                               (O
                                                                (34 1)
                                                                (38 1))
                                                               (O
                                                                (35 1))
                                                               (O
                                                                (37 1))
                                                               (O
                                                                (36 1)
                                                                (48 1))
                                                               (C
                                                                (50 1)
                                                                (45 1)
                                                                (49 1))
                                                               (C
                                                                (44 1)
                                                                (46 1)
                                                                (52 1))
                                                               (C
                                                                (45 1)
                                                                (47 1)
                                                                (53 1))
                                                               (C
                                                                (46 1)
                                                                (48 1)
                                                                (74 1))
                                                               (C
                                                                (43 1)
                                                                (47 1)
                                                                (50 1))
                                                               (C
                                                                (44 1)
                                                                (51 1))
                                                               (O
                                                                (44 1)
                                                                (48 1))
                                                               (O
                                                                (49 1))
                                                               (O
                                                                (45 1))
                                                               (O
                                                                (46 1))
                                                               (C
                                                                (60 1)
                                                                (55 1)
                                                                (59 1))
                                                               (C
                                                                (54 1)
                                                                (56 1)
                                                                (61 1))
                                                               (C
                                                                (55 1)
                                                                (57 1)
                                                                (86 1))
                                                               (C
                                                                (56 1)
                                                                (58 1)
                                                                (63 1))
                                                               (C
                                                                (57 1)
                                                                (60 1)
                                                                (62 1))
                                                               (C
                                                                (54 1)
                                                                (119
                                                                 1))
                                                               (O
                                                                (54 1)
                                                                (58 1))
                                                               (O
                                                                (55 1))
                                                               (O
                                                                (39 1)
                                                                (58 1))
                                                               (O
                                                                (57 1))
                                                               (C
                                                                (70 1)
                                                                (65 1)
                                                                (69 1))
                                                               (C
                                                                (64 1)
                                                                (66 1)
                                                                (72 1))
                                                               (C
                                                                (65 1)
                                                                (67 1)
                                                                (73 1))
                                                               (C
                                                                (66 1)
                                                                (68 1)
                                                                (84 1))
                                                               (C
                                                                (67 1)
                                                                (70 1)
                                                                (74 1))
                                                               (C
                                                                (64 1)
                                                                (71 1))
                                                               (O
                                                                (64 1)
                                                                (68 1))
                                                               (O
                                                                (69 1))
                                                               (O
                                                                (65 1))
                                                               (O
                                                                (66 1))
                                                               (O
                                                                (47 1)
                                                                (68 1))
                                                               (C
                                                                (81 1)
                                                                (76 1)
                                                                (80 1))
                                                               (C
                                                                (75 1)
                                                                (77 1)
                                                                (83 1))
                                                               (C
                                                                (76 1)
                                                                (78 1)
                                                                (141
                                                                 1))
                                                               (C
                                                                (77 1)
                                                                (79 1)
                                                                (85 1))
                                                               (C
                                                                (78 1)
                                                                (81 1)
                                                                (84 1))
                                                               (C
                                                                (75 1)
                                                                (82 1))
                                                               (O
                                                                (75 1)
                                                                (79 1))
                                                               (O
                                                                (80 1))
                                                               (O
                                                                (76 1))
                                                               (O
                                                                (67 1)
                                                                (79 1))
                                                               (O
                                                                (78 1))
                                                               (O
                                                                (56 1)
                                                                (91 1))
                                                               (C
                                                                (93 1)
                                                                (88 1)
                                                                (92 1))
                                                               (C
                                                                (87 1)
                                                                (89 1)
                                                                (95 1))
                                                               (C
                                                                (88 1)
                                                                (90 1)
                                                                (96 1))
                                                               (C
                                                                (89 1)
                                                                (91 1)
                                                                (97 1))
                                                               (C
                                                                (86 1)
                                                                (90 1)
                                                                (93 1))
                                                               (C
                                                                (87 1)
                                                                (94 1))
                                                               (O
                                                                (87 1)
                                                                (91 1))
                                                               (O
                                                                (92 1))
                                                               (O
                                                                (88 1))
                                                               (O
                                                                (89 1))
                                                               (O
                                                                (90 1)
                                                                (102
                                                                 1))
                                                               (C
                                                                (104 1)
                                                                (99 1)
                                                                (103
                                                                 1))
                                                               (C
                                                                (98 1)
                                                                (100 1)
                                                                (106
                                                                 1))
                                                               (C
                                                                (99 1)
                                                                (101 1)
                                                                (107
                                                                 1))
                                                               (C
                                                                (100 1)
                                                                (102 1)
                                                                (108
                                                                 1))
                                                               (C
                                                                (97 1)
                                                                (101 1)
                                                                (104
                                                                 1))
                                                               (C
                                                                (98 1)
                                                                (105
                                                                 1))
                                                               (O
                                                                (98 1)
                                                                (102
                                                                 1))
                                                               (O
                                                                (103
                                                                 1))
                                                               (O
                                                                (99 1))
                                                               (O
                                                                (100
                                                                 1))
                                                               (O
                                                                (101
                                                                 1))
                                                               (C
                                                                (115 1)
                                                                (110 1)
                                                                (114
                                                                 1))
                                                               (C
                                                                (109 1)
                                                                (111 1)
                                                                (117
                                                                 1))
                                                               (C
                                                                (110 1)
                                                                (112 1)
                                                                (118
                                                                 1))
                                                               (C
                                                                (111 1)
                                                                (113 1)
                                                                (130
                                                                 1))
                                                               (C
                                                                (112 1)
                                                                (115 1)
                                                                (119
                                                                 1))
                                                               (C
                                                                (109 1)
                                                                (116
                                                                 1))
                                                               (O
                                                                (109 1)
                                                                (113
                                                                 1))
                                                               (O
                                                                (114
                                                                 1))
                                                               (O
                                                                (110
                                                                 1))
                                                               (O
                                                                (111
                                                                 1))
                                                               (O
                                                                (59 1)
                                                                (113
                                                                 1))
                                                               (C
                                                                (126 1)
                                                                (121 1)
                                                                (125
                                                                 1))
                                                               (C
                                                                (120 1)
                                                                (122 1)
                                                                (128
                                                                 1))
                                                               (C
                                                                (121 1)
                                                                (123 1)
                                                                (129
                                                                 1))
                                                               (C
                                                                (122 1)
                                                                (124 1)
                                                                (131
                                                                 1))
                                                               (C
                                                                (123 1)
                                                                (126 1)
                                                                (130
                                                                 1))
                                                               (C
                                                                (120 1)
                                                                (127
                                                                 1))
                                                               (O
                                                                (120 1)
                                                                (124
                                                                 1))
                                                               (O
                                                                (125
                                                                 1))
                                                               (O
                                                                (121
                                                                 1))
                                                               (O
                                                                (122
                                                                 1))
                                                               (O
                                                                (112 1)
                                                                (124
                                                                 1))
                                                               (O
                                                                (123
                                                                 1))
                                                               (C
                                                                (138 1)
                                                                (133 1)
                                                                (137
                                                                 1))
                                                               (C
                                                                (132 1)
                                                                (134 1)
                                                                (140
                                                                 1))
                                                               (C
                                                                (133 1)
                                                                (135 1)
                                                                (153
                                                                 1))
                                                               (C
                                                                (134 1)
                                                                (136 1)
                                                                (142
                                                                 1))
                                                               (C
                                                                (135 1)
                                                                (138 1)
                                                                (141
                                                                 1))
                                                               (C
                                                                (132 1)
                                                                (139
                                                                 1))
                                                               (O
                                                                (132 1)
                                                                (136
                                                                 1))
                                                               (O
                                                                (137
                                                                 1))
                                                               (O
                                                                (133
                                                                 1))
                                                               (O
                                                                (77 1)
                                                                (136
                                                                 1))
                                                               (O
                                                                (135
                                                                 1))
                                                               (C
                                                                (149 1)
                                                                (144 1)
                                                                (148
                                                                 1))
                                                               (C
                                                                (143 1)
                                                                (145 1)
                                                                (151
                                                                 1))
                                                               (C
                                                                (144 1)
                                                                (146 1)
                                                                (152
                                                                 1))
                                                               (C
                                                                (145 1)
                                                                (147 1)
                                                                (164
                                                                 1))
                                                               (C
                                                                (146 1)
                                                                (149 1)
                                                                (153
                                                                 1))
                                                               (C
                                                                (143 1)
                                                                (150
                                                                 1))
                                                               (O
                                                                (143 1)
                                                                (147
                                                                 1))
                                                               (O
                                                                (148
                                                                 1))
                                                               (O
                                                                (144
                                                                 1))
                                                               (O
                                                                (145
                                                                 1))
                                                               (O
                                                                (134 1)
                                                                (147
                                                                 1))
                                                               (C
                                                                (160 1)
                                                                (155 1)
                                                                (159
                                                                 1))
                                                               (C
                                                                (154 1)
                                                                (156 1)
                                                                (162
                                                                 1))
                                                               (C
                                                                (155 1)
                                                                (157 1)
                                                                (163
                                                                 1))
                                                               (C
                                                                (156 1)
                                                                (158 1)
                                                                (165
                                                                 1))
                                                               (C
                                                                (157 1)
                                                                (160 1)
                                                                (164
                                                                 1))
                                                               (C
                                                                (154 1)
                                                                (161
                                                                 1))
                                                               (O
                                                                (154 1)
                                                                (158
                                                                 1))
                                                               (O
                                                                (159
                                                                 1))
                                                               (O
                                                                (155
                                                                 1))
                                                               (O
                                                                (156
                                                                 1))
                                                               (O
                                                                (146 1)
                                                                (158
                                                                 1))
                                                               (O
                                                                (157
                                                                 1))))
(Peptidoglycans "a peptidoglycan" NIL ((C (4 1) (5 1) (2 2))
                                       (O (1 2))
                                       (C (4 1))
                                       (C (1 1) (30 1) (3 1))
                                       (N (1 1) (8 1))
                                       (C (11 1) (7 1))
                                       (C (6 1) (8 1))
                                       (C (5 1) (7 1) (9 1))
                                       (C (8 1) (10 2) (14 1))
                                       (O (9 2))
                                       (C (6 1) (13 1) (12 2))
                                       (O (11 2))
                                       (O (11 1))
                                       (N (9 1) (16 1))
                                       (R (16 1))
                                       (C (14 1) (15 1) (17 1))
                                       (C (16 1) (18 2) (19 1))
                                       (O (17 2))
                                       (N (17 1) (23 1))
                                       (C (23 1) (24 1) (21 2))
                                       (O (20 2))
                                       (C (23 1))
                                       (C (19 1) (20 1) (22 1))
                                       (N (20 1) (29 1))
                                       (C (29 1) (27 1) (26 2))
                                       (O (25 2))
                                       (O (25 1))
                                       (C (29 1))
                                       (C (24 1) (25 1) (28 1))
                                       (N (4 1) (31 1))
                                       (C (30 1) (32 1) (33 2))
                                       (C (31 1) (35 1) (34 1))
                                       (O (31 2))
                                       (C (32 1))
                                       (O (32 1) (36 1))
                                       (C (35 1) (38 1) (39 1))
                                       (C (46 1) (38 1) (41 1))
                                       (C (36 1) (37 1) (112 1))
                                       (C (36 1) (40 1) (45 1))
                                       (C (46 1) (39 1) (48 1))
                                       (C (37 1) (47 1))
                                       (C (45 1) (44 2) (43 1))
                                       (C (42 1))
                                       (O (42 2))
                                       (N (39 1) (42 1))
                                       (O (37 1) (40 1))
                                       (O (41 1))
                                       (O (40 1) (51 1))
                                       (O (51 1) (50 1))
                                       (P (49 1) (85 1) (52 1) (53 2))
                                       (P (48 1) (49 1) (55 1) (54 2))
                                       (O (50 1))
                                       (O (50 2))
                                       (O (51 2))
                                       (O (51 1))
                                       (C (57 1) (111 1))
                                       (C (56 1) (58 2))
                                       (C (57 2) (59 1) (60 1))
                                       (C (58 1) (61 1))
                                       (C (58 1))
                                       (C (59 1) (62 1))
                                       (C (61 1) (63 2))
                                       (C (62 2) (64 1) (65 1))
                                       (C (63 1) (66 1))
                                       (C (63 1))
                                       (C (64 1) (67 1))
                                       (C (66 1) (68 2))
                                       (C (67 2) (69 1) (70 1))
                                       (C (68 1))
                                       (C (68 1))
                                       (C (86 1) (73 2) (72 1))
                                       (C (71 1))
                                       (C (71 2) (74 1))
                                       (C (73 1) (75 1))
                                       (C (74 1) (76 1))
                                       (C (75 1) (78 2) (77 1))
                                       (C (76 1))
                                       (C (76 2) (79 1))
                                       (C (78 1) (80 1))
                                       (C (79 1) (81 1))
                                       (C (80 1) (83 2) (82 1))
                                       (C (81 1))
                                       (C (81 2) (84 1))
                                       (C (83 1) (85 1))
                                       (O (50 1) (84 1))
                                       (C (71 1) (87 1))
                                       (C (86 1) (90 1))
                                       (C (91 1) (90 2) (89 1))
                                       (C (88 1))
                                       (C (87 1) (88 2))
                                       (C (88 1) (92 1))
                                       (C (91 1) (95 1))
                                       (C (96 1) (95 2) (94 1))
                                       (C (93 1))
                                       (C (92 1) (93 2))
                                       (C (93 1) (97 1))
                                       (C (96 1) (100 1))
                                       (C (101 1) (100 2) (99 1))
                                       (C (98 1))
                                       (C (97 1) (98 2))
                                       (C (98 1) (102 1))
                                       (C (101 1) (105 1))
                                       (C (106 1) (105 2) (104 1))
                                       (C (103 1))
                                       (C (102 1) (103 2))
                                       (C (103 1) (107 1))
                                       (C (106 1) (110 1))
                                       (C (111 1) (110 2) (109 1))
                                       (C (108 1))
                                       (C (107 1) (108 2))
                                       (C (108 1) (56 1))
                                       (O (38 1) (113 1))
                                       (C (112 1) (117 1) (120 1))
                                       (C (120 1) (115 1) (118 1))
                                       (C (114 1) (116 1) (122 1))
                                       (C (115 1) (117 1) (123 1))
                                       (C (113 1) (116 1) (119 1))
                                       (C (114 1) (121 1))
                                       (N (117 1) (124 1))
                                       (O (113 1) (114 1))
                                       (O (118 1))
                                       (O (115 1))
                                       (O (116 1))
                                       (C (119 1) (126 2) (125 1))
                                       (C (124 1))
                                       (O (124 2))))
(Alpha-D-Glucuronides "an alpha-D-glucuronoside" NIL ((O (9 2))
                                                      (O (9 1))
                                                      (O (10 1))
                                                      (O (11 1))
                                                      (O (12 1))
                                                      (R (7 1))
                                                      (O (6 1) (13 1))
                                                      (O (13 1) (14 1))
                                                      (C
                                                       (1 2)
                                                       (2 1)
                                                       (14 1))
                                                      (C
                                                       (3 1)
                                                       (11 1)
                                                       (12 1))
                                                      (C
                                                       (4 1)
                                                       (10 1)
                                                       (13 1))
                                                      (C
                                                       (5 1)
                                                       (10 1)
                                                       (14 1))
                                                      (C
                                                       (7 1)
                                                       (8 1)
                                                       (11 1))
                                                      (C
                                                       (8 1)
                                                       (9 1)
                                                       (12 1))))
(Beta-D-Glucuronides "a beta-D-glucuronoside" NIL ((O (9 2))
                                                   (O (9 1))
                                                   (O (10 1))
                                                   (O (11 1))
                                                   (O (12 1))
                                                   (R (7 1))
                                                   (O (6 1) (13 1))
                                                   (O (13 1) (14 1))
                                                   (C
                                                    (1 2)
                                                    (2 1)
                                                    (14 1))
                                                   (C
                                                    (3 1)
                                                    (11 1)
                                                    (12 1))
                                                   (C
                                                    (4 1)
                                                    (10 1)
                                                    (13 1))
                                                   (C
                                                    (5 1)
                                                    (10 1)
                                                    (14 1))
                                                   (C
                                                    (7 1)
                                                    (8 1)
                                                    (11 1))
                                                   (C
                                                    (8 1)
                                                    (9 1)
                                                    (12 1))))
(NDP-glucoses "an NDP-glucose" NIL ((O (16 2))
                                    (O (17 2))
                                    (O (12 1))
                                    (O (13 1))
                                    (O (16 1))
                                    (O (17 1))
                                    (R1 (14 1))
                                    (C (15 1) (9 1))
                                    (O (17 1) (8 1))
                                    (O (15 1) (14 1))
                                    (O (17 1) (16 1))
                                    (C (14 1) (13 1) (3 1))
                                    (C (15 1) (12 1) (4 1))
                                    (C (12 1) (10 1) (7 1))
                                    (C (13 1) (10 1) (8 1))
                                    (P (11 1) (5 1) (18 1) (1 2))
                                    (P (11 1) (9 1) (6 1) (2 2))
                                    (O (16 1) (19 1))
                                    (C (18 1) (23 1) (25 1))
                                    (C (25 1) (21 1) (24 1))
                                    (C (20 1) (22 1) (29 1))
                                    (C (21 1) (23 1) (28 1))
                                    (C (19 1) (22 1) (27 1))
                                    (C (20 1) (26 1))
                                    (O (19 1) (20 1))
                                    (O (24 1))
                                    (O (23 1))
                                    (O (22 1))
                                    (O (21 1))))
(UDP-N-acetylmuramoyl-Tripeptide "a UDP-N-acetylmuramoyl-tripeptide" NIL ((H
                                                                           (65
                                                                            1))
                                                                          (C
                                                                           (43
                                                                            1))
                                                                          (C
                                                                           (51
                                                                            1))
                                                                          (C
                                                                           (52
                                                                            1))
                                                                          (N
                                                                           (53
                                                                            1))
                                                                          (O
                                                                           (43
                                                                            2))
                                                                          (O
                                                                           (44
                                                                            2))
                                                                          (O
                                                                           (45
                                                                            2))
                                                                          (O
                                                                           (46
                                                                            2))
                                                                          (O
                                                                           (47
                                                                            2))
                                                                          (O
                                                                           (48
                                                                            2))
                                                                          (O
                                                                           (49
                                                                            2))
                                                                          (O
                                                                           (50
                                                                            2))
                                                                          (O
                                                                           (67
                                                                            2))
                                                                          (O
                                                                           (68
                                                                            2))
                                                                          (O
                                                                           (27
                                                                            1))
                                                                          (O
                                                                           (45
                                                                            1))
                                                                          (O
                                                                           (46
                                                                            1))
                                                                          (O
                                                                           (58
                                                                            1))
                                                                          (O
                                                                           (59
                                                                            1))
                                                                          (O
                                                                           (60
                                                                            1))
                                                                          (O
                                                                           (67
                                                                            1))
                                                                          (O
                                                                           (68
                                                                            1))
                                                                          (C
                                                                           (49
                                                                            :AROMATIC)
                                                                           (25
                                                                            :AROMATIC))
                                                                          (C
                                                                           (66
                                                                            :AROMATIC)
                                                                           (24
                                                                            :AROMATIC))
                                                                          (C
                                                                           (30
                                                                            1)
                                                                           (29
                                                                            1))
                                                                          (C
                                                                           (56
                                                                            1)
                                                                           (16
                                                                            1))
                                                                          (C
                                                                           (44
                                                                            1)
                                                                           (31
                                                                            1))
                                                                          (C
                                                                           (53
                                                                            1)
                                                                           (26
                                                                            1))
                                                                          (C
                                                                           (54
                                                                            1)
                                                                           (26
                                                                            1))
                                                                          (C
                                                                           (55
                                                                            1)
                                                                           (28
                                                                            1))
                                                                          (C
                                                                           (57
                                                                            1)
                                                                           (37
                                                                            1))
                                                                          (N
                                                                           (51
                                                                            1)
                                                                           (48
                                                                            1))
                                                                          (N
                                                                           (54
                                                                            1)
                                                                           (44
                                                                            1))
                                                                          (N
                                                                           (62
                                                                            1)
                                                                           (43
                                                                            1))
                                                                          (N
                                                                           (55
                                                                            1)
                                                                           (47
                                                                            1))
                                                                          (O
                                                                           (67
                                                                            1)
                                                                           (32
                                                                            1))
                                                                          (O
                                                                           (63
                                                                            1)
                                                                           (52
                                                                            1))
                                                                          (O
                                                                           (61
                                                                            1)
                                                                           (56
                                                                            1))
                                                                          (O
                                                                           (64
                                                                            1)
                                                                           (57
                                                                            1))
                                                                          (O
                                                                           (68
                                                                            1)
                                                                           (61
                                                                            1))
                                                                          (O
                                                                           (68
                                                                            1)
                                                                           (67
                                                                            1))
                                                                          (C
                                                                           (35
                                                                            1)
                                                                           (6
                                                                            2)
                                                                           (2
                                                                            1))
                                                                          (C
                                                                           (34
                                                                            1)
                                                                           (28
                                                                            1)
                                                                           (7
                                                                            2))
                                                                          (C
                                                                           (54
                                                                            1)
                                                                           (17
                                                                            1)
                                                                           (8
                                                                            2))
                                                                          (C
                                                                           (55
                                                                            1)
                                                                           (18
                                                                            1)
                                                                           (9
                                                                            2))
                                                                          (C
                                                                           (51
                                                                            1)
                                                                           (36
                                                                            1)
                                                                           (10
                                                                            2))
                                                                          (C
                                                                           (52
                                                                            1)
                                                                           (33
                                                                            1)
                                                                           (11
                                                                            2))
                                                                          (C
                                                                           (65
                                                                            :AROMATIC)
                                                                           (24
                                                                            :AROMATIC)
                                                                           (12
                                                                            2))
                                                                          (C
                                                                           (66
                                                                            :AROMATIC)
                                                                           (65
                                                                            :AROMATIC)
                                                                           (13
                                                                            2))
                                                                          (C
                                                                           (47
                                                                            1)
                                                                           (33
                                                                            1)
                                                                           (3
                                                                            1))
                                                                          (C
                                                                           (48
                                                                            1)
                                                                           (38
                                                                            1)
                                                                           (4
                                                                            1))
                                                                          (C
                                                                           (69
                                                                            1)
                                                                           (29
                                                                            1)
                                                                           (5
                                                                            1))
                                                                          (C
                                                                           (45
                                                                            1)
                                                                           (34
                                                                            1)
                                                                           (30
                                                                            1))
                                                                          (C
                                                                           (46
                                                                            1)
                                                                           (36
                                                                            1)
                                                                           (31
                                                                            1))
                                                                          (C
                                                                           (59
                                                                            1)
                                                                           (39
                                                                            1)
                                                                           (27
                                                                            1))
                                                                          (C
                                                                           (58
                                                                            1)
                                                                           (40
                                                                            1)
                                                                           (32
                                                                            1))
                                                                          (C
                                                                           (60
                                                                            1)
                                                                           (57
                                                                            1)
                                                                           (19
                                                                            1))
                                                                          (C
                                                                           (63
                                                                            1)
                                                                           (56
                                                                            1)
                                                                           (20
                                                                            1))
                                                                          (C
                                                                           (64
                                                                            1)
                                                                           (58
                                                                            1)
                                                                           (21
                                                                            1))
                                                                          (C
                                                                           (62
                                                                            1)
                                                                           (41
                                                                            1)
                                                                           (39
                                                                            1))
                                                                          (C
                                                                           (63
                                                                            1)
                                                                           (61
                                                                            1)
                                                                           (35
                                                                            1))
                                                                          (C
                                                                           (62
                                                                            1)
                                                                           (59
                                                                            1)
                                                                           (38
                                                                            1))
                                                                          (C
                                                                           (66
                                                                            1)
                                                                           (60
                                                                            1)
                                                                           (40
                                                                            1))
                                                                          (N
                                                                           (50
                                                                            :AROMATIC)
                                                                           (49
                                                                            :AROMATIC)
                                                                           (1
                                                                            1))
                                                                          (N
                                                                           (64
                                                                            1)
                                                                           (50
                                                                            :AROMATIC)
                                                                           (25
                                                                            :AROMATIC))
                                                                          (P
                                                                           (42
                                                                            1)
                                                                           (37
                                                                            1)
                                                                           (22
                                                                            1)
                                                                           (14
                                                                            2))
                                                                          (P
                                                                           (42
                                                                            1)
                                                                           (41
                                                                            1)
                                                                           (23
                                                                            1)
                                                                           (15
                                                                            2))
                                                                          (R1
                                                                           (53
                                                                            1))))
(UDP-NAcMur-Peptides "a UDP-N-acetylmuramoyl-pentapeptide" NIL ((H
                                                                 (68
                                                                  1))
                                                                (C
                                                                 (44
                                                                  1))
                                                                (C
                                                                 (53
                                                                  1))
                                                                (C
                                                                 (54
                                                                  1))
                                                                (C
                                                                 (55
                                                                  1))
                                                                (C
                                                                 (56
                                                                  1))
                                                                (O
                                                                 (44
                                                                  2))
                                                                (O
                                                                 (45
                                                                  2))
                                                                (O
                                                                 (46
                                                                  2))
                                                                (O
                                                                 (47
                                                                  2))
                                                                (O
                                                                 (48
                                                                  2))
                                                                (O
                                                                 (49
                                                                  2))
                                                                (O
                                                                 (50
                                                                  2))
                                                                (O
                                                                 (51
                                                                  2))
                                                                (O
                                                                 (52
                                                                  2))
                                                                (O
                                                                 (70
                                                                  2))
                                                                (O
                                                                 (71
                                                                  2))
                                                                (O
                                                                 (27
                                                                  1))
                                                                (O
                                                                 (45
                                                                  1))
                                                                (O
                                                                 (61
                                                                  1))
                                                                (O
                                                                 (62
                                                                  1))
                                                                (O
                                                                 (63
                                                                  1))
                                                                (O
                                                                 (70
                                                                  1))
                                                                (O
                                                                 (71
                                                                  1))
                                                                (C
                                                                 (26
                                                                  :AROMATIC)
                                                                 (51
                                                                  :AROMATIC))
                                                                (C
                                                                 (25
                                                                  :AROMATIC)
                                                                 (69
                                                                  :AROMATIC))
                                                                (C
                                                                 (18 1)
                                                                 (59
                                                                  1))
                                                                (C
                                                                 (30 1)
                                                                 (72
                                                                  1))
                                                                (R1
                                                                 (57
                                                                  1))
                                                                (C
                                                                 (28 1)
                                                                 (58
                                                                  1))
                                                                (C
                                                                 (38 1)
                                                                 (60
                                                                  1))
                                                                (N
                                                                 (46 1)
                                                                 (53
                                                                  1))
                                                                (N
                                                                 (48 1)
                                                                 (54
                                                                  1))
                                                                (N
                                                                 (49 1)
                                                                 (55
                                                                  1))
                                                                (N
                                                                 (47 1)
                                                                 (58
                                                                  1))
                                                                (N
                                                                 (50 1)
                                                                 (57
                                                                  1))
                                                                (N
                                                                 (44 1)
                                                                 (65
                                                                  1))
                                                                (O
                                                                 (31 1)
                                                                 (70
                                                                  1))
                                                                (O
                                                                 (59 1)
                                                                 (64
                                                                  1))
                                                                (O
                                                                 (56 1)
                                                                 (66
                                                                  1))
                                                                (O
                                                                 (60 1)
                                                                 (67
                                                                  1))
                                                                (O
                                                                 (64 1)
                                                                 (71
                                                                  1))
                                                                (O
                                                                 (70 1)
                                                                 (71
                                                                  1))
                                                                (C
                                                                 (2 1)
                                                                 (7 2)
                                                                 (37
                                                                  1))
                                                                (C
                                                                 (8 2)
                                                                 (19 1)
                                                                 (53
                                                                  1))
                                                                (C
                                                                 (9 2)
                                                                 (32 1)
                                                                 (55
                                                                  1))
                                                                (C
                                                                 (10 2)
                                                                 (35 1)
                                                                 (54
                                                                  1))
                                                                (C
                                                                 (11 2)
                                                                 (33 1)
                                                                 (56
                                                                  1))
                                                                (C
                                                                 (12 2)
                                                                 (34 1)
                                                                 (57
                                                                  1))
                                                                (C
                                                                 (13 2)
                                                                 (36 1)
                                                                 (58
                                                                  1))
                                                                (C
                                                                 (14 2)
                                                                 (25
                                                                  :AROMATIC)
                                                                 (68
                                                                  :AROMATIC))
                                                                (C
                                                                 (15 2)
                                                                 (68
                                                                  :AROMATIC)
                                                                 (69
                                                                  :AROMATIC))
                                                                (C
                                                                 (3 1)
                                                                 (32 1)
                                                                 (45
                                                                  1))
                                                                (C
                                                                 (4 1)
                                                                 (33 1)
                                                                 (47
                                                                  1))
                                                                (C
                                                                 (5 1)
                                                                 (34 1)
                                                                 (46
                                                                  1))
                                                                (C
                                                                 (6 1)
                                                                 (40 1)
                                                                 (48
                                                                  1))
                                                                (C
                                                                 (29 1)
                                                                 (36 1)
                                                                 (49
                                                                  1))
                                                                (C
                                                                 (30 1)
                                                                 (35 1)
                                                                 (50
                                                                  1))
                                                                (C
                                                                 (27 1)
                                                                 (39 1)
                                                                 (62
                                                                  1))
                                                                (C
                                                                 (31 1)
                                                                 (41 1)
                                                                 (61
                                                                  1))
                                                                (C
                                                                 (20 1)
                                                                 (60 1)
                                                                 (63
                                                                  1))
                                                                (C
                                                                 (21 1)
                                                                 (59 1)
                                                                 (66
                                                                  1))
                                                                (C
                                                                 (22 1)
                                                                 (61 1)
                                                                 (67
                                                                  1))
                                                                (C
                                                                 (39 1)
                                                                 (42 1)
                                                                 (65
                                                                  1))
                                                                (C
                                                                 (37 1)
                                                                 (64 1)
                                                                 (66
                                                                  1))
                                                                (C
                                                                 (40 1)
                                                                 (62 1)
                                                                 (65
                                                                  1))
                                                                (C
                                                                 (41 1)
                                                                 (63 1)
                                                                 (69
                                                                  1))
                                                                (N
                                                                 (1 1)
                                                                 (51
                                                                  :AROMATIC)
                                                                 (52
                                                                  :AROMATIC))
                                                                (N
                                                                 (26
                                                                  :AROMATIC)
                                                                 (52
                                                                  :AROMATIC)
                                                                 (67
                                                                  1))
                                                                (P
                                                                 (16 2)
                                                                 (23 1)
                                                                 (38 1)
                                                                 (43
                                                                  1))
                                                                (P
                                                                 (17 2)
                                                                 (24 1)
                                                                 (42 1)
                                                                 (43
                                                                  1))
                                                                (R1
                                                                 (28
                                                                  1))))
(NAcMur-Peptide-NAcGlc-Undecaprenols "a N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol" NIL ((C
                                                                                                                               (4
                                                                                                                                1)
                                                                                                                               (5
                                                                                                                                1)
                                                                                                                               (2
                                                                                                                                2))
                                                                                                                              (O
                                                                                                                               (1
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (4
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (1
                                                                                                                                1)
                                                                                                                               (27
                                                                                                                                1)
                                                                                                                               (3
                                                                                                                                1))
                                                                                                                              (N
                                                                                                                               (1
                                                                                                                                1)
                                                                                                                               (8
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (124
                                                                                                                                1)
                                                                                                                               (7
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (6
                                                                                                                                1)
                                                                                                                               (8
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (5
                                                                                                                                1)
                                                                                                                               (7
                                                                                                                                1)
                                                                                                                               (9
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (8
                                                                                                                                1)
                                                                                                                               (10
                                                                                                                                2)
                                                                                                                               (11
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (9
                                                                                                                                2))
                                                                                                                              (N
                                                                                                                               (9
                                                                                                                                1)
                                                                                                                               (13
                                                                                                                                1))
                                                                                                                              (R1
                                                                                                                               (13
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (11
                                                                                                                                1)
                                                                                                                               (12
                                                                                                                                1)
                                                                                                                               (14
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (13
                                                                                                                                1)
                                                                                                                               (15
                                                                                                                                2)
                                                                                                                               (16
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (14
                                                                                                                                2))
                                                                                                                              (N
                                                                                                                               (14
                                                                                                                                1)
                                                                                                                               (20
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (20
                                                                                                                                1)
                                                                                                                               (21
                                                                                                                                1)
                                                                                                                               (18
                                                                                                                                2))
                                                                                                                              (O
                                                                                                                               (17
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (20
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (16
                                                                                                                                1)
                                                                                                                               (17
                                                                                                                                1)
                                                                                                                               (19
                                                                                                                                1))
                                                                                                                              (N
                                                                                                                               (17
                                                                                                                                1)
                                                                                                                               (26
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (26
                                                                                                                                1)
                                                                                                                               (24
                                                                                                                                1)
                                                                                                                               (23
                                                                                                                                2))
                                                                                                                              (O
                                                                                                                               (22
                                                                                                                                2))
                                                                                                                              (O
                                                                                                                               (22
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (26
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (21
                                                                                                                                1)
                                                                                                                               (22
                                                                                                                                1)
                                                                                                                               (25
                                                                                                                                1))
                                                                                                                              (N
                                                                                                                               (4
                                                                                                                                1)
                                                                                                                               (28
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (27
                                                                                                                                1)
                                                                                                                               (29
                                                                                                                                1)
                                                                                                                               (30
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (28
                                                                                                                                1)
                                                                                                                               (32
                                                                                                                                1)
                                                                                                                               (31
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (28
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (29
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (29
                                                                                                                                1)
                                                                                                                               (33
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (32
                                                                                                                                1)
                                                                                                                               (35
                                                                                                                                1)
                                                                                                                               (36
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (43
                                                                                                                                1)
                                                                                                                               (35
                                                                                                                                1)
                                                                                                                               (38
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (33
                                                                                                                                1)
                                                                                                                               (34
                                                                                                                                1)
                                                                                                                               (109
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (33
                                                                                                                                1)
                                                                                                                               (37
                                                                                                                                1)
                                                                                                                               (42
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (43
                                                                                                                                1)
                                                                                                                               (36
                                                                                                                                1)
                                                                                                                               (45
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (34
                                                                                                                                1)
                                                                                                                               (44
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (42
                                                                                                                                1)
                                                                                                                               (41
                                                                                                                                2)
                                                                                                                               (40
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (39
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (39
                                                                                                                                2))
                                                                                                                              (N
                                                                                                                               (36
                                                                                                                                1)
                                                                                                                               (39
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (34
                                                                                                                                1)
                                                                                                                               (37
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (38
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (37
                                                                                                                                1)
                                                                                                                               (48
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (48
                                                                                                                                1)
                                                                                                                               (47
                                                                                                                                1))
                                                                                                                              (P
                                                                                                                               (46
                                                                                                                                1)
                                                                                                                               (82
                                                                                                                                1)
                                                                                                                               (49
                                                                                                                                1)
                                                                                                                               (50
                                                                                                                                2))
                                                                                                                              (P
                                                                                                                               (45
                                                                                                                                1)
                                                                                                                               (46
                                                                                                                                1)
                                                                                                                               (52
                                                                                                                                1)
                                                                                                                               (51
                                                                                                                                2))
                                                                                                                              (O
                                                                                                                               (47
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (47
                                                                                                                                2))
                                                                                                                              (O
                                                                                                                               (48
                                                                                                                                2))
                                                                                                                              (O
                                                                                                                               (48
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (54
                                                                                                                                1)
                                                                                                                               (108
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (53
                                                                                                                                1)
                                                                                                                               (55
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (54
                                                                                                                                2)
                                                                                                                               (56
                                                                                                                                1)
                                                                                                                               (57
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (55
                                                                                                                                1)
                                                                                                                               (58
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (55
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (56
                                                                                                                                1)
                                                                                                                               (59
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (58
                                                                                                                                1)
                                                                                                                               (60
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (59
                                                                                                                                2)
                                                                                                                               (61
                                                                                                                                1)
                                                                                                                               (62
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (60
                                                                                                                                1)
                                                                                                                               (63
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (60
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (61
                                                                                                                                1)
                                                                                                                               (64
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (63
                                                                                                                                1)
                                                                                                                               (65
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (64
                                                                                                                                2)
                                                                                                                               (66
                                                                                                                                1)
                                                                                                                               (67
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (65
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (65
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (83
                                                                                                                                1)
                                                                                                                               (70
                                                                                                                                2)
                                                                                                                               (69
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (68
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (68
                                                                                                                                2)
                                                                                                                               (71
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (70
                                                                                                                                1)
                                                                                                                               (72
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (71
                                                                                                                                1)
                                                                                                                               (73
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (72
                                                                                                                                1)
                                                                                                                               (75
                                                                                                                                2)
                                                                                                                               (74
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (73
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (73
                                                                                                                                2)
                                                                                                                               (76
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (75
                                                                                                                                1)
                                                                                                                               (77
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (76
                                                                                                                                1)
                                                                                                                               (78
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (77
                                                                                                                                1)
                                                                                                                               (80
                                                                                                                                2)
                                                                                                                               (79
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (78
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (78
                                                                                                                                2)
                                                                                                                               (81
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (80
                                                                                                                                1)
                                                                                                                               (82
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (47
                                                                                                                                1)
                                                                                                                               (81
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (68
                                                                                                                                1)
                                                                                                                               (84
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (83
                                                                                                                                1)
                                                                                                                               (87
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (88
                                                                                                                                1)
                                                                                                                               (87
                                                                                                                                2)
                                                                                                                               (86
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (85
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (84
                                                                                                                                1)
                                                                                                                               (85
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (85
                                                                                                                                1)
                                                                                                                               (89
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (88
                                                                                                                                1)
                                                                                                                               (92
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (93
                                                                                                                                1)
                                                                                                                               (92
                                                                                                                                2)
                                                                                                                               (91
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (90
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (89
                                                                                                                                1)
                                                                                                                               (90
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (90
                                                                                                                                1)
                                                                                                                               (94
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (93
                                                                                                                                1)
                                                                                                                               (97
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (98
                                                                                                                                1)
                                                                                                                               (97
                                                                                                                                2)
                                                                                                                               (96
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (95
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (94
                                                                                                                                1)
                                                                                                                               (95
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (95
                                                                                                                                1)
                                                                                                                               (99
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (98
                                                                                                                                1)
                                                                                                                               (102
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (103
                                                                                                                                1)
                                                                                                                               (102
                                                                                                                                2)
                                                                                                                               (101
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (100
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (99
                                                                                                                                1)
                                                                                                                               (100
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (100
                                                                                                                                1)
                                                                                                                               (104
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (103
                                                                                                                                1)
                                                                                                                               (107
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (108
                                                                                                                                1)
                                                                                                                               (107
                                                                                                                                2)
                                                                                                                               (106
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (105
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (104
                                                                                                                                1)
                                                                                                                               (105
                                                                                                                                2))
                                                                                                                              (C
                                                                                                                               (105
                                                                                                                                1)
                                                                                                                               (53
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (35
                                                                                                                                1)
                                                                                                                               (110
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (109
                                                                                                                                1)
                                                                                                                               (114
                                                                                                                                1)
                                                                                                                               (117
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (117
                                                                                                                                1)
                                                                                                                               (112
                                                                                                                                1)
                                                                                                                               (115
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (111
                                                                                                                                1)
                                                                                                                               (113
                                                                                                                                1)
                                                                                                                               (119
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (112
                                                                                                                                1)
                                                                                                                               (114
                                                                                                                                1)
                                                                                                                               (120
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (110
                                                                                                                                1)
                                                                                                                               (113
                                                                                                                                1)
                                                                                                                               (116
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (111
                                                                                                                                1)
                                                                                                                               (118
                                                                                                                                1))
                                                                                                                              (N
                                                                                                                               (114
                                                                                                                                1)
                                                                                                                               (121
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (110
                                                                                                                                1)
                                                                                                                               (111
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (115
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (112
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (113
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (116
                                                                                                                                1)
                                                                                                                               (123
                                                                                                                                2)
                                                                                                                               (122
                                                                                                                                1))
                                                                                                                              (C
                                                                                                                               (121
                                                                                                                                1))
                                                                                                                              (O
                                                                                                                               (121
                                                                                                                                2))
                                                                                                                              (R1
                                                                                                                               (6
                                                                                                                                1))))
(Hexose-1-Phosphate "a hexose-1-phosphate" NIL ((O (16 2))
                                                (O (8 1))
                                                (O (11 1))
                                                (O (12 1))
                                                (O (13 1))
                                                (O (16 1))
                                                (O (16 1))
                                                (C (2 1) (14 1))
                                                (O (14 1) (15 1))
                                                (O (15 1) (16 1))
                                                (C (3 1) (12 1) (13 1))
                                                (C (4 1) (11 1) (14 1))
                                                (C (5 1) (11 1) (15 1))
                                                (C (8 1) (9 1) (12 1))
                                                (C (9 1) (10 1) (13 1))
                                                (P
                                                 (1 2)
                                                 (6 1)
                                                 (7 1)
                                                 (10 1))))
(Alpha-Hexose-1-Phosphate "alpha-hexose-1-phosphate" NIL ((O (16 2))
                                                          (O (8 1))
                                                          (O (11 1))
                                                          (O (12 1))
                                                          (O (13 1))
                                                          (O (16 1))
                                                          (O (16 1))
                                                          (C
                                                           (2 1)
                                                           (14 1))
                                                          (O
                                                           (14 1)
                                                           (15 1))
                                                          (O
                                                           (15 1)
                                                           (16 1))
                                                          (C
                                                           (3 1)
                                                           (12 1)
                                                           (13 1))
                                                          (C
                                                           (4 1)
                                                           (11 1)
                                                           (14 1))
                                                          (C
                                                           (5 1)
                                                           (11 1)
                                                           (15 1))
                                                          (C
                                                           (8 1)
                                                           (9 1)
                                                           (12 1))
                                                          (C
                                                           (9 1)
                                                           (10 1)
                                                           (13 1))
                                                          (P
                                                           (1 2)
                                                           (6 1)
                                                           (7 1)
                                                           (10 1))))
(D-glucose-1-phosphates "D-glucose-1-phosphate" NIL ((O (16 2))
                                                     (O (8 1))
                                                     (O (11 1))
                                                     (O (12 1))
                                                     (O (13 1))
                                                     (O (16 1))
                                                     (O (16 1))
                                                     (C (14 1) (2 1))
                                                     (O (15 1) (14 1))
                                                     (O (16 1) (15 1))
                                                     (C
                                                      (13 1)
                                                      (12 1)
                                                      (3 1))
                                                     (C
                                                      (14 1)
                                                      (11 1)
                                                      (4 1))
                                                     (C
                                                      (15 1)
                                                      (11 1)
                                                      (5 1))
                                                     (C
                                                      (12 1)
                                                      (9 1)
                                                      (8 1))
                                                     (C
                                                      (13 1)
                                                      (10 1)
                                                      (9 1))
                                                     (P
                                                      (10 1)
                                                      (7 1)
                                                      (6 1)
                                                      (1 2))))
(3-Acyl-pyruvates "a 3-acylpyruvate" NIL ((O (7 2))
                                          (O (8 2))
                                          (O (9 2))
                                          (O (7 1))
                                          (R1 (8 1))
                                          (C (8 1) (9 1))
                                          (C (1 2) (4 1) (9 1))
                                          (C (2 2) (5 1) (6 1))
                                          (C (3 2) (6 1) (7 1))))
(Carbonyls "a carbonyl" NIL ((C (3 1) (4 1) (2 2)) (O (1 2)) (R1 (1 1))
                             (R2 (1 1))))
(RH "an organic molecule" NIL ((R (2 1)) (H (1 1))))
(Hexoses "a hexose" NIL ((O (6 1)) (O (8 1)) (O (9 1)) (O (10 1))
                         (O (11 1)) (C (1 1) (12 1)) (O (8 1) (12 1))
                         (C (2 1) (7 1) (9 1)) (C (3 1) (8 1) (10 1))
                         (C (4 1) (9 1) (11 1)) (C (5 1) (10 1) (12 1))
                         (C (6 1) (7 1) (11 1))))
(D-Aldoses "a D-aldose" NIL ((H (4 1)) (O (4 2)) (R (4 1))
                             (C (1 1) (2 2) (3 1))))
(L-ARABINOSE "L-arabinose" NIL ((C (6 1) (2 1))
                                (C (10 1) (3 1) (1 1))
                                (C (9 1) (4 1) (2 1))
                                (C (8 1) (5 1) (3 1))
                                (C (7 1) (6 1) (4 1))
                                (O (1 1) (5 1))
                                (O (5 1))
                                (O (4 1))
                                (O (3 1))
                                (O (2 1))))
(D-Hexoses "a D-hexose" NIL ((O (6 1)) (O (8 1)) (O (9 1)) (O (10 1))
                             (O (11 1)) (C (1 1) (12 1))
                             (O (8 1) (12 1)) (C (2 1) (7 1) (9 1))
                             (C (3 1) (8 1) (10 1))
                             (C (4 1) (9 1) (11 1))
                             (C (5 1) (10 1) (12 1))
                             (C (6 1) (7 1) (11 1))))
(D-Galactose "D-galactose" NIL ((O (6 1))
                                (O (8 1))
                                (O (9 1))
                                (O (10 1))
                                (O (11 1))
                                (C (12 1) (1 1))
                                (O (12 1) (8 1))
                                (C (9 1) (7 1) (2 1))
                                (C (10 1) (8 1) (3 1))
                                (C (11 1) (9 1) (4 1))
                                (C (12 1) (10 1) (5 1))
                                (C (11 1) (7 1) (6 1))))
(D-Glucose "D-glucose" NIL ((O (6 1)) (O (8 1)) (O (9 1)) (O (10 1))
                            (O (11 1)) (C (12 1) (1 1))
                            (O (12 1) (8 1)) (C (9 1) (7 1) (2 1))
                            (C (10 1) (8 1) (3 1))
                            (C (11 1) (9 1) (4 1))
                            (C (12 1) (10 1) (5 1))
                            (C (11 1) (7 1) (6 1))))
(MDO-6-Glycerophospho-D-Glucoses "an MDO-6-(glycerophospho)-D-glucose" NIL ((O
                                                                             (14
                                                                              1))
                                                                            (O
                                                                             (15
                                                                              1))
                                                                            (O
                                                                             (16
                                                                              1))
                                                                            (O
                                                                             (17
                                                                              1))
                                                                            (O
                                                                             (18
                                                                              1))
                                                                            (O
                                                                             (19
                                                                              1))
                                                                            (R1
                                                                             (10
                                                                              1))
                                                                            (C
                                                                             (20
                                                                              1)
                                                                             (24
                                                                              1))
                                                                            (C
                                                                             (21
                                                                              1)
                                                                             (11
                                                                              1))
                                                                            (O
                                                                             (22
                                                                              1)
                                                                             (7
                                                                              1))
                                                                            (O
                                                                             (23
                                                                              1)
                                                                             (9
                                                                              1))
                                                                            (O
                                                                             (23
                                                                              1)
                                                                             (20
                                                                              1))
                                                                            (O
                                                                             (22
                                                                              1)
                                                                             (21
                                                                              1))
                                                                            (C
                                                                             (18
                                                                              1)
                                                                             (17
                                                                              1)
                                                                             (1
                                                                              1))
                                                                            (C
                                                                             (19
                                                                              1)
                                                                             (16
                                                                              1)
                                                                             (2
                                                                              1))
                                                                            (C
                                                                             (20
                                                                              1)
                                                                             (15
                                                                              1)
                                                                             (3
                                                                              1))
                                                                            (C
                                                                             (21
                                                                              1)
                                                                             (14
                                                                              1)
                                                                             (4
                                                                              1))
                                                                            (C
                                                                             (22
                                                                              1)
                                                                             (14
                                                                              1)
                                                                             (5
                                                                              1))
                                                                            (C
                                                                             (23
                                                                              1)
                                                                             (15
                                                                              1)
                                                                             (6
                                                                              1))
                                                                            (C
                                                                             (16
                                                                              1)
                                                                             (12
                                                                              1)
                                                                             (8
                                                                              1))
                                                                            (C
                                                                             (17
                                                                              1)
                                                                             (13
                                                                              1)
                                                                             (9
                                                                              1))
                                                                            (C
                                                                             (18
                                                                              1)
                                                                             (13
                                                                              1)
                                                                             (10
                                                                              1))
                                                                            (C
                                                                             (19
                                                                              1)
                                                                             (12
                                                                              1)
                                                                             (11
                                                                              1))
                                                                            (O
                                                                             (8
                                                                              1)
                                                                             (25
                                                                              1))
                                                                            (P
                                                                             (24
                                                                              1)
                                                                             (26
                                                                              2)
                                                                             (27
                                                                              1)
                                                                             (28
                                                                              1))
                                                                            (O
                                                                             (25
                                                                              2))
                                                                            (O
                                                                             (25
                                                                              1))
                                                                            (O
                                                                             (25
                                                                              1)
                                                                             (29
                                                                              1))
                                                                            (C
                                                                             (28
                                                                              1)
                                                                             (30
                                                                              1))
                                                                            (C
                                                                             (29
                                                                              1)
                                                                             (31
                                                                              1)
                                                                             (32
                                                                              1))
                                                                            (C
                                                                             (30
                                                                              1)
                                                                             (33
                                                                              1))
                                                                            (O
                                                                             (30
                                                                              1))
                                                                            (O
                                                                             (31
                                                                              1))))
(MDO-D-Glucoses "an MDO-O-glucose" NIL ((O (9 1))
                                        (O (15 1))
                                        (O (16 1))
                                        (O (17 1))
                                        (O (18 1))
                                        (O (19 1))
                                        (O (20 1))
                                        (R (11 1))
                                        (C (21 1) (1 1))
                                        (C (22 1) (12 1))
                                        (O (23 1) (8 1))
                                        (O (24 1) (10 1))
                                        (O (24 1) (21 1))
                                        (O (23 1) (22 1))
                                        (C (19 1) (18 1) (2 1))
                                        (C (20 1) (17 1) (3 1))
                                        (C (21 1) (16 1) (4 1))
                                        (C (22 1) (15 1) (5 1))
                                        (C (23 1) (15 1) (6 1))
                                        (C (24 1) (16 1) (7 1))
                                        (C (17 1) (13 1) (9 1))
                                        (C (18 1) (14 1) (10 1))
                                        (C (19 1) (14 1) (11 1))
                                        (C (20 1) (13 1) (12 1))))
(Xyloglucans "a xyloglucan" NIL ((O (13 1))
                                 (O (23 1))
                                 (O (24 1))
                                 (O (25 1))
                                 (O (26 1))
                                 (O (27 1))
                                 (O (28 1))
                                 (O (29 1))
                                 (O (30 1))
                                 (O (31 1))
                                 (C (56 1) (32 1))
                                 (C (55 1) (33 1))
                                 (C (1 1) (34 1))
                                 (C (54 1) (35 1))
                                 (O (22 1) (33 1))
                                 (O (32 1) (36 1))
                                 (O (35 1) (37 1))
                                 (O (34 1) (38 1))
                                 (O (36 1) (40 1))
                                 (O (37 1) (39 1))
                                 (O (38 1) (41 1))
                                 (C (42 1) (15 1) (23 1))
                                 (C (2 1) (22 1) (29 1))
                                 (C (3 1) (25 1) (26 1))
                                 (C (4 1) (24 1) (32 1))
                                 (C (5 1) (24 1) (36 1))
                                 (C (6 1) (31 1) (37 1))
                                 (C (7 1) (30 1) (38 1))
                                 (C (8 1) (23 1) (39 1))
                                 (C (9 1) (28 1) (40 1))
                                 (C (10 1) (27 1) (41 1))
                                 (C (11 1) (16 1) (25 1))
                                 (C (12 1) (15 1) (39 1))
                                 (C (13 1) (18 1) (40 1))
                                 (C (14 1) (17 1) (41 1))
                                 (C (16 1) (19 1) (26 1))
                                 (C (17 1) (20 1) (27 1))
                                 (C (18 1) (21 1) (28 1))
                                 (C (20 1) (29 1) (33 1))
                                 (C (19 1) (30 1) (34 1))
                                 (C (21 1) (31 1) (35 1))
                                 (O (50 1) (22 1))
                                 (O (46 1))
                                 (O (49 1))
                                 (O (51 1))
                                 (C (52 1) (43 1))
                                 (O (52 1) (53 1))
                                 (O (53 1))
                                 (C (50 1) (51 1) (44 1))
                                 (C (52 1) (49 1) (42 1))
                                 (C (53 1) (49 1) (45 1))
                                 (C (50 1) (47 1) (46 1))
                                 (C (51 1) (48 1) (47 1))
                                 (R2 (14 1))
                                 (R1 (12 1))
                                 (R3 (11 1))))
(6-alpha-D--1-4-alpha-D-Glucano--Glucan "glycogen" NIL ((C
                                                         (2 1)
                                                         (3 1)
                                                         (4 1))
                                                        (C
                                                         (1 1)
                                                         (5 1)
                                                         (6 1))
                                                        (O (1 1) (7 1))
                                                        (C
                                                         (1 1)
                                                         (8 1)
                                                         (9 1))
                                                        (O
                                                         (2 1)
                                                         (10 1))
                                                        (C
                                                         (2 1)
                                                         (11 1))
                                                        (C
                                                         (3 1)
                                                         (12 1)
                                                         (13 1))
                                                        (C
                                                         (4 1)
                                                         (14 1)
                                                         (10 1))
                                                        (O (4 1))
                                                        (C
                                                         (5 1)
                                                         (15 1)
                                                         (8 1))
                                                        (O
                                                         (6 1)
                                                         (16 1))
                                                        (O
                                                         (7 1)
                                                         (17 1))
                                                        (C
                                                         (7 1)
                                                         (18 1)
                                                         (19 1))
                                                        (O (8 1))
                                                        (O
                                                         (10 1)
                                                         (20 1))
                                                        (C
                                                         (11 1)
                                                         (21 1)
                                                         (22 1))
                                                        (C
                                                         (12 1)
                                                         (23 1)
                                                         (24 1))
                                                        (C
                                                         (13 1)
                                                         (25 1)
                                                         (23 1))
                                                        (O (13 1))
                                                        (C
                                                         (15 1)
                                                         (26 1)
                                                         (27 1))
                                                        (O
                                                         (16 1)
                                                         (28 1))
                                                        (C
                                                         (16 1)
                                                         (29 1)
                                                         (30 1))
                                                        (C
                                                         (17 1)
                                                         (31 1)
                                                         (18 1))
                                                        (C
                                                         (17 1)
                                                         (32 1))
                                                        (O (18 1))
                                                        (C
                                                         (20 1)
                                                         (33 1)
                                                         (34 1))
                                                        (C
                                                         (20 1)
                                                         (35 1)
                                                         (36 1))
                                                        (C
                                                         (21 1)
                                                         (37 1)
                                                         (38 1))
                                                        (C
                                                         (22 1)
                                                         (39 1)
                                                         (37 1))
                                                        (O (22 1))
                                                        (O (23 1))
                                                        (O (24 1))
                                                        (O
                                                         (26 1)
                                                         (40 1))
                                                        (C
                                                         (26 1)
                                                         (41 1))
                                                        (C
                                                         (27 1)
                                                         (42 1)
                                                         (40 1))
                                                        (O (27 1))
                                                        (C
                                                         (28 1)
                                                         (43 1)
                                                         (29 1))
                                                        (C
                                                         (28 1)
                                                         (44 1))
                                                        (O (29 1))
                                                        (C
                                                         (33 1)
                                                         (45 1)
                                                         (35 1))
                                                        (O (34 1))
                                                        (O (35 1))
                                                        (O (37 1))
                                                        (O (38 1))
                                                        (O (40 1))))
(Cyclodextrins "a cyclodextrin" NIL ((C (45 1) (4 1) (3 1) (2 1))
                                     (C (46 1) (6 1) (5 1) (1 1))
                                     (C (47 1) (8 1) (7 1) (1 1))
                                     (O (9 1) (1 1))
                                     (O (10 1) (2 1))
                                     (C (49 1) (48 1) (11 1) (2 1))
                                     (C (50 1) (10 1) (12 1) (3 1))
                                     (O (51 1) (3 1))
                                     (C (52 1) (14 1) (13 1) (4 1))
                                     (C (53 1) (7 1) (15 1) (5 1))
                                     (O (54 1) (6 1))
                                     (O (55 1) (7 1))
                                     (C (56 1) (17 1) (16 1) (9 1))
                                     (O (18 1) (9 1))
                                     (O (19 1) (10 1))
                                     (C (57 1) (21 1) (20 1) (13 1))
                                     (O (58 1) (13 1))
                                     (C (59 1) (20 1) (22 1) (14 1))
                                     (C (60 1) (24 1) (23 1) (15 1))
                                     (C (61 1) (18 1) (25 1) (16 1))
                                     (O (62 1) (16 1))
                                     (C (64 1) (63 1) (26 1) (18 1))
                                     (C (65 1) (28 1) (27 1) (19 1))
                                     (C (66 1) (30 1) (29 1) (19 1))
                                     (O (31 1) (20 1))
                                     (O (67 1) (22 1))
                                     (O (32 1) (23 1))
                                     (C (69 1) (68 1) (33 1) (23 1))
                                     (C (70 1) (32 1) (34 1) (24 1))
                                     (O (71 1) (24 1))
                                     (C (72 1) (36 1) (35 1) (25 1))
                                     (C (73 1) (29 1) (37 1) (27 1))
                                     (O (74 1) (28 1))
                                     (O (75 1) (29 1))
                                     (C (76 1) (39 1) (38 1) (31 1))
                                     (O (40 1) (31 1))
                                     (O (41 1) (32 1))
                                     (C (77 1) (41 1) (42 1) (35 1))
                                     (O (78 1) (35 1))
                                     (C (79 1) (41 1) (43 1) (36 1))
                                     (C (80 1) (40 1) (38 1) (37 1))
                                     (O (81 1) (38 1))
                                     (C (83 1) (82 1) (44 1) (40 1))
                                     (O (84 1) (43 1))
                                     (H (1 1))
                                     (H (2 1))
                                     (H (3 1))
                                     (H (6 1))
                                     (H (6 1))
                                     (H (7 1))
                                     (H (8 1))
                                     (H (9 1))
                                     (H (10 1))
                                     (H (11 1))
                                     (H (12 1))
                                     (H (13 1))
                                     (H (16 1))
                                     (H (17 1))
                                     (H (18 1))
                                     (H (19 1))
                                     (H (20 1))
                                     (H (21 1))
                                     (H (22 1))
                                     (H (22 1))
                                     (H (23 1))
                                     (H (24 1))
                                     (H (26 1))
                                     (H (28 1))
                                     (H (28 1))
                                     (H (29 1))
                                     (H (30 1))
                                     (H (31 1))
                                     (H (32 1))
                                     (H (33 1))
                                     (H (34 1))
                                     (H (35 1))
                                     (H (38 1))
                                     (H (39 1))
                                     (H (40 1))
                                     (H (41 1))
                                     (H (42 1))
                                     (H (43 1))
                                     (H (43 1))
                                     (H (44 1))))
(1-4-alpha-D-galacturonosyl "1,4-alpha-D-galacturonosyl" NIL ((C
                                                               (6 1)
                                                               (2 1)
                                                               (10 1))
                                                              (C
                                                               (1 1)
                                                               (3 1)
                                                               (9 1))
                                                              (C
                                                               (2 1)
                                                               (4 1)
                                                               (8 1))
                                                              (C
                                                               (3 1)
                                                               (5 1)
                                                               (7 1))
                                                              (C
                                                               (6 1)
                                                               (4 1)
                                                               (13 1))
                                                              (O
                                                               (1 1)
                                                               (5 1))
                                                              (O (4 1))
                                                              (O (3 1))
                                                              (O (2 1))
                                                              (C
                                                               (1 1)
                                                               (11 1)
                                                               (12 2))
                                                              (O
                                                               (10 1))
                                                              (O
                                                               (10 2))
                                                              (O
                                                               (5 1)
                                                               (14 1))
                                                              (C
                                                               (13 1)
                                                               (15 1)
                                                               (16 1))
                                                              (C
                                                               (14 1)
                                                               (20 1)
                                                               (19 1))
                                                              (C
                                                               (14 1)
                                                               (17 1)
                                                               (23 1))
                                                              (C
                                                               (16 1)
                                                               (18 1)
                                                               (24 1))
                                                              (C
                                                               (20 1)
                                                               (17 1)
                                                               (25 1))
                                                              (C
                                                               (15 1)
                                                               (22 2)
                                                               (21 1))
                                                              (O
                                                               (15 1)
                                                               (18 1))
                                                              (O
                                                               (19 1))
                                                              (O
                                                               (19 2))
                                                              (O
                                                               (16 1))
                                                              (O
                                                               (17 1))
                                                              (O
                                                               (18 1)
                                                               (26 1))
                                                              (C
                                                               (25 1)
                                                               (27 1)
                                                               (28 1))
                                                              (C
                                                               (26 1)
                                                               (37 1)
                                                               (31 1))
                                                              (C
                                                               (26 1)
                                                               (29 1)
                                                               (34 1))
                                                              (C
                                                               (28 1)
                                                               (30 1)
                                                               (35 1))
                                                              (C
                                                               (37 1)
                                                               (29 1)
                                                               (36 1))
                                                              (C
                                                               (27 1)
                                                               (33 2)
                                                               (32 1))
                                                              (O
                                                               (31 1))
                                                              (O
                                                               (31 2))
                                                              (O
                                                               (28 1))
                                                              (O
                                                               (29 1))
                                                              (O
                                                               (30 1))
                                                              (O
                                                               (27 1)
                                                               (30 1))))
(Methylesterified-homogalacturonan "methylesterified 1,4-alpha-D-galacturonosyl" NIL ((C
                                                                                       (6
                                                                                        1)
                                                                                       (2
                                                                                        1)
                                                                                       (10
                                                                                        1))
                                                                                      (C
                                                                                       (1
                                                                                        1)
                                                                                       (3
                                                                                        1)
                                                                                       (9
                                                                                        1))
                                                                                      (C
                                                                                       (2
                                                                                        1)
                                                                                       (4
                                                                                        1)
                                                                                       (8
                                                                                        1))
                                                                                      (C
                                                                                       (3
                                                                                        1)
                                                                                       (5
                                                                                        1)
                                                                                       (7
                                                                                        1))
                                                                                      (C
                                                                                       (6
                                                                                        1)
                                                                                       (4
                                                                                        1)
                                                                                       (13
                                                                                        1))
                                                                                      (O
                                                                                       (1
                                                                                        1)
                                                                                       (5
                                                                                        1))
                                                                                      (O
                                                                                       (4
                                                                                        1))
                                                                                      (O
                                                                                       (3
                                                                                        1))
                                                                                      (O
                                                                                       (2
                                                                                        1))
                                                                                      (C
                                                                                       (1
                                                                                        1)
                                                                                       (11
                                                                                        1)
                                                                                       (12
                                                                                        2))
                                                                                      (O
                                                                                       (10
                                                                                        1))
                                                                                      (O
                                                                                       (10
                                                                                        2))
                                                                                      (O
                                                                                       (5
                                                                                        1)
                                                                                       (14
                                                                                        1))
                                                                                      (C
                                                                                       (13
                                                                                        1)
                                                                                       (15
                                                                                        1)
                                                                                       (16
                                                                                        1))
                                                                                      (C
                                                                                       (14
                                                                                        1)
                                                                                       (20
                                                                                        1)
                                                                                       (19
                                                                                        1))
                                                                                      (C
                                                                                       (14
                                                                                        1)
                                                                                       (17
                                                                                        1)
                                                                                       (22
                                                                                        1))
                                                                                      (C
                                                                                       (16
                                                                                        1)
                                                                                       (18
                                                                                        1)
                                                                                       (23
                                                                                        1))
                                                                                      (C
                                                                                       (20
                                                                                        1)
                                                                                       (17
                                                                                        1)
                                                                                       (24
                                                                                        1))
                                                                                      (C
                                                                                       (15
                                                                                        1)
                                                                                       (21
                                                                                        2)
                                                                                       (37
                                                                                        1))
                                                                                      (O
                                                                                       (15
                                                                                        1)
                                                                                       (18
                                                                                        1))
                                                                                      (O
                                                                                       (19
                                                                                        2))
                                                                                      (O
                                                                                       (16
                                                                                        1))
                                                                                      (O
                                                                                       (17
                                                                                        1))
                                                                                      (O
                                                                                       (18
                                                                                        1)
                                                                                       (25
                                                                                        1))
                                                                                      (C
                                                                                       (24
                                                                                        1)
                                                                                       (26
                                                                                        1)
                                                                                       (27
                                                                                        1))
                                                                                      (C
                                                                                       (25
                                                                                        1)
                                                                                       (36
                                                                                        1)
                                                                                       (30
                                                                                        1))
                                                                                      (C
                                                                                       (25
                                                                                        1)
                                                                                       (28
                                                                                        1)
                                                                                       (33
                                                                                        1))
                                                                                      (C
                                                                                       (27
                                                                                        1)
                                                                                       (29
                                                                                        1)
                                                                                       (34
                                                                                        1))
                                                                                      (C
                                                                                       (36
                                                                                        1)
                                                                                       (28
                                                                                        1)
                                                                                       (35
                                                                                        1))
                                                                                      (C
                                                                                       (26
                                                                                        1)
                                                                                       (32
                                                                                        2)
                                                                                       (31
                                                                                        1))
                                                                                      (O
                                                                                       (30
                                                                                        1))
                                                                                      (O
                                                                                       (30
                                                                                        2))
                                                                                      (O
                                                                                       (27
                                                                                        1))
                                                                                      (O
                                                                                       (28
                                                                                        1))
                                                                                      (O
                                                                                       (29
                                                                                        1))
                                                                                      (O
                                                                                       (26
                                                                                        1)
                                                                                       (29
                                                                                        1))
                                                                                      (O
                                                                                       (19
                                                                                        1)
                                                                                       (38
                                                                                        1))
                                                                                      (C
                                                                                       (37
                                                                                        1))))
(Xyloglucan-Xylosyl-Residue "xyloglucan with an alpha-D-xylosyl sidechain" NIL ((O
                                                                                 (13
                                                                                  1))
                                                                                (O
                                                                                 (23
                                                                                  1))
                                                                                (O
                                                                                 (24
                                                                                  1))
                                                                                (O
                                                                                 (25
                                                                                  1))
                                                                                (O
                                                                                 (26
                                                                                  1))
                                                                                (O
                                                                                 (27
                                                                                  1))
                                                                                (O
                                                                                 (28
                                                                                  1))
                                                                                (O
                                                                                 (29
                                                                                  1))
                                                                                (O
                                                                                 (30
                                                                                  1))
                                                                                (O
                                                                                 (31
                                                                                  1))
                                                                                (C
                                                                                 (53
                                                                                  1)
                                                                                 (32
                                                                                  1))
                                                                                (C
                                                                                 (54
                                                                                  1)
                                                                                 (33
                                                                                  1))
                                                                                (C
                                                                                 (1
                                                                                  1)
                                                                                 (34
                                                                                  1))
                                                                                (C
                                                                                 (55
                                                                                  1)
                                                                                 (35
                                                                                  1))
                                                                                (O
                                                                                 (22
                                                                                  1)
                                                                                 (33
                                                                                  1))
                                                                                (O
                                                                                 (32
                                                                                  1)
                                                                                 (36
                                                                                  1))
                                                                                (O
                                                                                 (35
                                                                                  1)
                                                                                 (37
                                                                                  1))
                                                                                (O
                                                                                 (34
                                                                                  1)
                                                                                 (38
                                                                                  1))
                                                                                (O
                                                                                 (36
                                                                                  1)
                                                                                 (40
                                                                                  1))
                                                                                (O
                                                                                 (37
                                                                                  1)
                                                                                 (39
                                                                                  1))
                                                                                (O
                                                                                 (38
                                                                                  1)
                                                                                 (41
                                                                                  1))
                                                                                (C
                                                                                 (42
                                                                                  1)
                                                                                 (15
                                                                                  1)
                                                                                 (23
                                                                                  1))
                                                                                (C
                                                                                 (2
                                                                                  1)
                                                                                 (22
                                                                                  1)
                                                                                 (29
                                                                                  1))
                                                                                (C
                                                                                 (3
                                                                                  1)
                                                                                 (25
                                                                                  1)
                                                                                 (26
                                                                                  1))
                                                                                (C
                                                                                 (4
                                                                                  1)
                                                                                 (24
                                                                                  1)
                                                                                 (32
                                                                                  1))
                                                                                (C
                                                                                 (5
                                                                                  1)
                                                                                 (24
                                                                                  1)
                                                                                 (36
                                                                                  1))
                                                                                (C
                                                                                 (6
                                                                                  1)
                                                                                 (31
                                                                                  1)
                                                                                 (37
                                                                                  1))
                                                                                (C
                                                                                 (7
                                                                                  1)
                                                                                 (30
                                                                                  1)
                                                                                 (38
                                                                                  1))
                                                                                (C
                                                                                 (8
                                                                                  1)
                                                                                 (23
                                                                                  1)
                                                                                 (39
                                                                                  1))
                                                                                (C
                                                                                 (9
                                                                                  1)
                                                                                 (28
                                                                                  1)
                                                                                 (40
                                                                                  1))
                                                                                (C
                                                                                 (10
                                                                                  1)
                                                                                 (27
                                                                                  1)
                                                                                 (41
                                                                                  1))
                                                                                (C
                                                                                 (11
                                                                                  1)
                                                                                 (16
                                                                                  1)
                                                                                 (25
                                                                                  1))
                                                                                (C
                                                                                 (12
                                                                                  1)
                                                                                 (15
                                                                                  1)
                                                                                 (39
                                                                                  1))
                                                                                (C
                                                                                 (13
                                                                                  1)
                                                                                 (18
                                                                                  1)
                                                                                 (40
                                                                                  1))
                                                                                (C
                                                                                 (14
                                                                                  1)
                                                                                 (17
                                                                                  1)
                                                                                 (41
                                                                                  1))
                                                                                (C
                                                                                 (16
                                                                                  1)
                                                                                 (19
                                                                                  1)
                                                                                 (26
                                                                                  1))
                                                                                (C
                                                                                 (17
                                                                                  1)
                                                                                 (20
                                                                                  1)
                                                                                 (27
                                                                                  1))
                                                                                (C
                                                                                 (18
                                                                                  1)
                                                                                 (21
                                                                                  1)
                                                                                 (28
                                                                                  1))
                                                                                (C
                                                                                 (20
                                                                                  1)
                                                                                 (29
                                                                                  1)
                                                                                 (33
                                                                                  1))
                                                                                (C
                                                                                 (19
                                                                                  1)
                                                                                 (30
                                                                                  1)
                                                                                 (34
                                                                                  1))
                                                                                (C
                                                                                 (21
                                                                                  1)
                                                                                 (31
                                                                                  1)
                                                                                 (35
                                                                                  1))
                                                                                (O
                                                                                 (49
                                                                                  1)
                                                                                 (22
                                                                                  1))
                                                                                (O
                                                                                 (48
                                                                                  1))
                                                                                (O
                                                                                 (50
                                                                                  1))
                                                                                (C
                                                                                 (51
                                                                                  1)
                                                                                 (56
                                                                                  1))
                                                                                (O
                                                                                 (51
                                                                                  1)
                                                                                 (52
                                                                                  1))
                                                                                (O
                                                                                 (52
                                                                                  1))
                                                                                (C
                                                                                 (49
                                                                                  1)
                                                                                 (50
                                                                                  1)
                                                                                 (43
                                                                                  1))
                                                                                (C
                                                                                 (51
                                                                                  1)
                                                                                 (48
                                                                                  1)
                                                                                 (42
                                                                                  1))
                                                                                (C
                                                                                 (52
                                                                                  1)
                                                                                 (48
                                                                                  1)
                                                                                 (44
                                                                                  1))
                                                                                (C
                                                                                 (49
                                                                                  1)
                                                                                 (46
                                                                                  1)
                                                                                 (45
                                                                                  1))
                                                                                (C
                                                                                 (50
                                                                                  1)
                                                                                 (47
                                                                                  1)
                                                                                 (46
                                                                                  1))
                                                                                (R1
                                                                                 (11
                                                                                  1))
                                                                                (R1
                                                                                 (12
                                                                                  1))
                                                                                (R1
                                                                                 (14
                                                                                  1))
                                                                                (O
                                                                                 (45
                                                                                  1)
                                                                                 (57
                                                                                  1))
                                                                                (C
                                                                                 (56
                                                                                  1)
                                                                                 (61
                                                                                  1)
                                                                                 (62
                                                                                  1))
                                                                                (C
                                                                                 (59
                                                                                  1)
                                                                                 (62
                                                                                  1))
                                                                                (C
                                                                                 (58
                                                                                  1)
                                                                                 (60
                                                                                  1)
                                                                                 (65
                                                                                  1))
                                                                                (C
                                                                                 (59
                                                                                  1)
                                                                                 (61
                                                                                  1)
                                                                                 (64
                                                                                  1))
                                                                                (C
                                                                                 (57
                                                                                  1)
                                                                                 (60
                                                                                  1)
                                                                                 (63
                                                                                  1))
                                                                                (O
                                                                                 (57
                                                                                  1)
                                                                                 (58
                                                                                  1))
                                                                                (O
                                                                                 (61
                                                                                  1))
                                                                                (O
                                                                                 (60
                                                                                  1))
                                                                                (O
                                                                                 (59
                                                                                  1))))
(Nucleosides "a nucleoside" NIL ((O (5 1))
                                 (O (8 1))
                                 (O (9 1))
                                 (R (7 1))
                                 (C (1 1) (10 1))
                                 (O (7 1) (10 1))
                                 (C (4 1) (6 1) (8 1))
                                 (C (2 1) (7 1) (9 1))
                                 (C (3 1) (8 1) (10 1))
                                 (C (5 1) (6 1) (9 1))))
(Deoxy-Ribonucleosides "a deoxynucleoside" NIL ((O (4 1))
                                                (O (8 1))
                                                (R (7 1))
                                                (C (1 1) (9 1))
                                                (C (7 1) (8 1))
                                                (O (7 1) (9 1))
                                                (C (3 1) (5 1) (6 1))
                                                (C (2 1) (5 1) (9 1))
                                                (C (4 1) (6 1) (8 1))))
(Ribonucleosides "a ribonucleoside" NIL ((O (5 1))
                                         (O (8 1))
                                         (O (9 1))
                                         (R (7 1))
                                         (C (1 1) (10 1))
                                         (O (7 1) (10 1))
                                         (C (4 1) (6 1) (8 1))
                                         (C (2 1) (7 1) (9 1))
                                         (C (3 1) (8 1) (10 1))
                                         (C (5 1) (6 1) (9 1))))
(2-Prime-Ribonucleoside-Monophosphates "a nucleoside 2'-phosphate" NIL ((O
                                                                         (14
                                                                          2))
                                                                        (O
                                                                         (7
                                                                          1))
                                                                        (O
                                                                         (10
                                                                          1))
                                                                        (O
                                                                         (14
                                                                          1))
                                                                        (O
                                                                         (14
                                                                          1))
                                                                        (R
                                                                         (11
                                                                          1))
                                                                        (C
                                                                         (2
                                                                          1)
                                                                         (12
                                                                          1))
                                                                        (O
                                                                         (11
                                                                          1)
                                                                         (12
                                                                          1))
                                                                        (O
                                                                         (13
                                                                          1)
                                                                         (14
                                                                          1))
                                                                        (C
                                                                         (3
                                                                          1)
                                                                         (12
                                                                          1)
                                                                         (13
                                                                          1))
                                                                        (C
                                                                         (6
                                                                          1)
                                                                         (8
                                                                          1)
                                                                         (13
                                                                          1))
                                                                        (C
                                                                         (7
                                                                          1)
                                                                         (8
                                                                          1)
                                                                         (10
                                                                          1))
                                                                        (C
                                                                         (9
                                                                          1)
                                                                         (10
                                                                          1)
                                                                         (11
                                                                          1))
                                                                        (P
                                                                         (1
                                                                          2)
                                                                         (4
                                                                          1)
                                                                         (5
                                                                          1)
                                                                         (9
                                                                          1))))
(3-Prime-Ribonucleoside-Monophosphates "a nucleoside 3'-phosphate" NIL ((O
                                                                         (3
                                                                          1))
                                                                        (R
                                                                         (7
                                                                          1))
                                                                        (C
                                                                         (8
                                                                          1)
                                                                         (1
                                                                          1))
                                                                        (O
                                                                         (8
                                                                          1)
                                                                         (7
                                                                          1))
                                                                        (O
                                                                         (9
                                                                          1))
                                                                        (C
                                                                         (9
                                                                          1)
                                                                         (8
                                                                          1)
                                                                         (10
                                                                          1))
                                                                        (C
                                                                         (9
                                                                          1)
                                                                         (4
                                                                          1)
                                                                         (2
                                                                          1))
                                                                        (C
                                                                         (6
                                                                          1)
                                                                         (4
                                                                          1)
                                                                         (3
                                                                          1))
                                                                        (C
                                                                         (7
                                                                          1)
                                                                         (6
                                                                          1)
                                                                         (5
                                                                          1))
                                                                        (O
                                                                         (6
                                                                          1)
                                                                         (13
                                                                          1))
                                                                        (O
                                                                         (13
                                                                          1))
                                                                        (O
                                                                         (13
                                                                          1))
                                                                        (P
                                                                         (10
                                                                          1)
                                                                         (12
                                                                          1)
                                                                         (11
                                                                          1)
                                                                         (14
                                                                          2))
                                                                        (O
                                                                         (13
                                                                          2))))
(Nucleoside-Diphosphates "a nucleoside diphosphate" NIL ((O (17 2))
                                                         (O (18 2))
                                                         (O (13 1))
                                                         (O (14 1))
                                                         (O (17 1))
                                                         (O (17 1))
                                                         (O (18 1))
                                                         (R (15 1))
                                                         (C
                                                          (10 1)
                                                          (16 1))
                                                         (O
                                                          (9 1)
                                                          (18 1))
                                                         (O
                                                          (15 1)
                                                          (16 1))
                                                         (O
                                                          (17 1)
                                                          (18 1))
                                                         (C
                                                          (3 1)
                                                          (14 1)
                                                          (15 1))
                                                         (C
                                                          (4 1)
                                                          (13 1)
                                                          (16 1))
                                                         (C
                                                          (8 1)
                                                          (11 1)
                                                          (13 1))
                                                         (C
                                                          (9 1)
                                                          (11 1)
                                                          (14 1))
                                                         (P
                                                          (1 2)
                                                          (5 1)
                                                          (6 1)
                                                          (12 1))
                                                         (P
                                                          (2 2)
                                                          (7 1)
                                                          (10 1)
                                                          (12 1))))
(Nucleoside-Monophosphates "a nucleoside monophosphate" NIL ((O (14 2))
                                                             (O (10 1))
                                                             (O (11 1))
                                                             (O (14 1))
                                                             (O (14 1))
                                                             (R (12 1))
                                                             (C
                                                              (8 1)
                                                              (13 1))
                                                             (O
                                                              (7 1)
                                                              (14 1))
                                                             (O
                                                              (12 1)
                                                              (13 1))
                                                             (C
                                                              (2 1)
                                                              (11 1)
                                                              (12 1))
                                                             (C
                                                              (3 1)
                                                              (10 1)
                                                              (13 1))
                                                             (C
                                                              (6 1)
                                                              (9 1)
                                                              (10 1))
                                                             (C
                                                              (7 1)
                                                              (9 1)
                                                              (11 1))
                                                             (P
                                                              (1 2)
                                                              (4 1)
                                                              (5 1)
                                                              (8 1))))
(Nucleoside-Triphosphates "a nucleoside triphosphate" NIL ((O (20 2))
                                                           (O (21 2))
                                                           (O (22 2))
                                                           (O (16 1))
                                                           (O (17 1))
                                                           (O (20 1))
                                                           (O (20 1))
                                                           (O (21 1))
                                                           (O (22 1))
                                                           (R (18 1))
                                                           (C
                                                            (12 1)
                                                            (19 1))
                                                           (O
                                                            (11 1)
                                                            (21 1))
                                                           (O
                                                            (18 1)
                                                            (19 1))
                                                           (O
                                                            (20 1)
                                                            (22 1))
                                                           (O
                                                            (21 1)
                                                            (22 1))
                                                           (C
                                                            (4 1)
                                                            (17 1)
                                                            (18 1))
                                                           (C
                                                            (5 1)
                                                            (16 1)
                                                            (19 1))
                                                           (C
                                                            (10 1)
                                                            (13 1)
                                                            (16 1))
                                                           (C
                                                            (11 1)
                                                            (13 1)
                                                            (17 1))
                                                           (P
                                                            (1 2)
                                                            (6 1)
                                                            (7 1)
                                                            (14 1))
                                                           (P
                                                            (2 2)
                                                            (8 1)
                                                            (12 1)
                                                            (15 1))
                                                           (P
                                                            (3 2)
                                                            (9 1)
                                                            (14 1)
                                                            (15 1))))
(Cyclic-2-3-Ribonucleoside-Monophosphates "a nucleoside 2',3'-cyclic phosphate" NIL ((O
                                                                                      (13
                                                                                       2))
                                                                                     (O
                                                                                      (4
                                                                                       1))
                                                                                     (O
                                                                                      (13
                                                                                       1))
                                                                                     (C
                                                                                      (8
                                                                                       1)
                                                                                      (2
                                                                                       1))
                                                                                     (O
                                                                                      (11
                                                                                       1)
                                                                                      (8
                                                                                       1))
                                                                                     (O
                                                                                      (13
                                                                                       1)
                                                                                      (9
                                                                                       1))
                                                                                     (O
                                                                                      (13
                                                                                       1)
                                                                                      (10
                                                                                       1))
                                                                                     (C
                                                                                      (9
                                                                                       1)
                                                                                      (5
                                                                                       1)
                                                                                      (4
                                                                                       1))
                                                                                     (C
                                                                                      (10
                                                                                       1)
                                                                                      (8
                                                                                       1)
                                                                                      (6
                                                                                       1))
                                                                                     (C
                                                                                      (11
                                                                                       1)
                                                                                      (9
                                                                                       1)
                                                                                      (7
                                                                                       1))
                                                                                     (C
                                                                                      (12
                                                                                       1)
                                                                                      (10
                                                                                       1)
                                                                                      (5
                                                                                       1))
                                                                                     (R
                                                                                      (11
                                                                                       1))
                                                                                     (P
                                                                                      (7
                                                                                       1)
                                                                                      (6
                                                                                       1)
                                                                                      (3
                                                                                       1)
                                                                                      (1
                                                                                       2))))
(Cyclic-3-5-Ribonucleoside-Monophosphates "a nucleoside 3',5'-cyclic phosphate" NIL ((O
                                                                                      (10
                                                                                       2))
                                                                                     (O
                                                                                      (7
                                                                                       1)
                                                                                      (10
                                                                                       1))
                                                                                     (C
                                                                                      (4
                                                                                       1)
                                                                                      (6
                                                                                       1))
                                                                                     (O
                                                                                      (3
                                                                                       1)
                                                                                      (10
                                                                                       1))
                                                                                     (O
                                                                                      (6
                                                                                       1)
                                                                                      (9
                                                                                       1))
                                                                                     (C
                                                                                      (3
                                                                                       1)
                                                                                      (5
                                                                                       1)
                                                                                      (7
                                                                                       1))
                                                                                     (C
                                                                                      (2
                                                                                       1)
                                                                                      (6
                                                                                       1)
                                                                                      (8
                                                                                       1))
                                                                                     (C
                                                                                      (12
                                                                                       1)
                                                                                      (7
                                                                                       1)
                                                                                      (9
                                                                                       1))
                                                                                     (C
                                                                                      (5
                                                                                       1)
                                                                                      (8
                                                                                       1)
                                                                                      (13
                                                                                       1))
                                                                                     (P
                                                                                      (11
                                                                                       1)
                                                                                      (1
                                                                                       2)
                                                                                      (2
                                                                                       1)
                                                                                      (4
                                                                                       1))
                                                                                     (O
                                                                                      (10
                                                                                       1))
                                                                                     (O
                                                                                      (8
                                                                                       1))
                                                                                     (R
                                                                                      (9
                                                                                       1))))
(Deoxy-Ribonucleoside-Diphosphates "a 2'-deoxyribonucleoside diphosphate" NIL ((O
                                                                                (12
                                                                                 2))
                                                                               (O
                                                                                (9
                                                                                 1))
                                                                               (O
                                                                                (12
                                                                                 1))
                                                                               (R1
                                                                                (10
                                                                                 1))
                                                                               (C
                                                                                (7
                                                                                 1)
                                                                                (11
                                                                                 1))
                                                                               (C
                                                                                (9
                                                                                 1)
                                                                                (10
                                                                                 1))
                                                                               (O
                                                                                (5
                                                                                 1)
                                                                                (12
                                                                                 1))
                                                                               (O
                                                                                (10
                                                                                 1)
                                                                                (11
                                                                                 1))
                                                                               (C
                                                                                (2
                                                                                 1)
                                                                                (6
                                                                                 1)
                                                                                (11
                                                                                 1))
                                                                               (C
                                                                                (4
                                                                                 1)
                                                                                (6
                                                                                 1)
                                                                                (8
                                                                                 1))
                                                                               (C
                                                                                (5
                                                                                 1)
                                                                                (8
                                                                                 1)
                                                                                (9
                                                                                 1))
                                                                               (P
                                                                                (1
                                                                                 2)
                                                                                (3
                                                                                 1)
                                                                                (13
                                                                                 1)
                                                                                (7
                                                                                 1))
                                                                               (O
                                                                                (12
                                                                                 1)
                                                                                (14
                                                                                 1))
                                                                               (P
                                                                                (13
                                                                                 1)
                                                                                (17
                                                                                 1)
                                                                                (15
                                                                                 2)
                                                                                (16
                                                                                 1))
                                                                               (O
                                                                                (14
                                                                                 2))
                                                                               (O
                                                                                (14
                                                                                 1))
                                                                               (O
                                                                                (14
                                                                                 1))))
(Deoxy-Ribonucleoside-Monophosphates "a 2'-deoxyribonucleoside monophosphate" NIL ((O
                                                                                    (13
                                                                                     2))
                                                                                   (O
                                                                                    (10
                                                                                     1))
                                                                                   (O
                                                                                    (13
                                                                                     1))
                                                                                   (O
                                                                                    (13
                                                                                     1))
                                                                                   (R
                                                                                    (11
                                                                                     1))
                                                                                   (C
                                                                                    (8
                                                                                     1)
                                                                                    (12
                                                                                     1))
                                                                                   (C
                                                                                    (10
                                                                                     1)
                                                                                    (11
                                                                                     1))
                                                                                   (O
                                                                                    (6
                                                                                     1)
                                                                                    (13
                                                                                     1))
                                                                                   (O
                                                                                    (11
                                                                                     1)
                                                                                    (12
                                                                                     1))
                                                                                   (C
                                                                                    (2
                                                                                     1)
                                                                                    (7
                                                                                     1)
                                                                                    (12
                                                                                     1))
                                                                                   (C
                                                                                    (5
                                                                                     1)
                                                                                    (7
                                                                                     1)
                                                                                    (9
                                                                                     1))
                                                                                   (C
                                                                                    (6
                                                                                     1)
                                                                                    (9
                                                                                     1)
                                                                                    (10
                                                                                     1))
                                                                                   (P
                                                                                    (1
                                                                                     2)
                                                                                    (3
                                                                                     1)
                                                                                    (4
                                                                                     1)
                                                                                    (8
                                                                                     1))))
(Deoxy-Ribonucleoside-Triphosphates "a 2'-deoxyribonucleoside triphosphate" NIL ((O
                                                                                  (12
                                                                                   2))
                                                                                 (O
                                                                                  (9
                                                                                   1))
                                                                                 (O
                                                                                  (12
                                                                                   1))
                                                                                 (R1
                                                                                  (10
                                                                                   1))
                                                                                 (C
                                                                                  (7
                                                                                   1)
                                                                                  (11
                                                                                   1))
                                                                                 (C
                                                                                  (9
                                                                                   1)
                                                                                  (10
                                                                                   1))
                                                                                 (O
                                                                                  (5
                                                                                   1)
                                                                                  (12
                                                                                   1))
                                                                                 (O
                                                                                  (10
                                                                                   1)
                                                                                  (11
                                                                                   1))
                                                                                 (C
                                                                                  (2
                                                                                   1)
                                                                                  (6
                                                                                   1)
                                                                                  (11
                                                                                   1))
                                                                                 (C
                                                                                  (4
                                                                                   1)
                                                                                  (6
                                                                                   1)
                                                                                  (8
                                                                                   1))
                                                                                 (C
                                                                                  (5
                                                                                   1)
                                                                                  (8
                                                                                   1)
                                                                                  (9
                                                                                   1))
                                                                                 (P
                                                                                  (1
                                                                                   2)
                                                                                  (3
                                                                                   1)
                                                                                  (13
                                                                                   1)
                                                                                  (7
                                                                                   1))
                                                                                 (O
                                                                                  (12
                                                                                   1)
                                                                                  (14
                                                                                   1))
                                                                                 (P
                                                                                  (13
                                                                                   1)
                                                                                  (17
                                                                                   1)
                                                                                  (15
                                                                                   2)
                                                                                  (16
                                                                                   1))
                                                                                 (O
                                                                                  (14
                                                                                   2))
                                                                                 (O
                                                                                  (14
                                                                                   1))
                                                                                 (O
                                                                                  (14
                                                                                   1)
                                                                                  (18
                                                                                   1))
                                                                                 (P
                                                                                  (17
                                                                                   1)
                                                                                  (21
                                                                                   1)
                                                                                  (19
                                                                                   2)
                                                                                  (20
                                                                                   1))
                                                                                 (O
                                                                                  (18
                                                                                   2))
                                                                                 (O
                                                                                  (18
                                                                                   1))
                                                                                 (O
                                                                                  (18
                                                                                   1))))
(Dinucleotide "a dinucleotide" NIL ((C (2 1) (3 1) (4 1))
                                    (C (1 1) (5 1) (6 1))
                                    (C (1 1) (7 1))
                                    (O (1 1) (8 1))
                                    (C (2 1) (9 1) (8 1))
                                    (O (2 1))
                                    (O (3 1) (10 1))
                                    (C (4 1) (11 1) (5 1))
                                    (O (5 1))
                                    (P (7 1) (12 1) (13 1) (14 2))
                                    (R (8 1))
                                    (O (10 1) (15 1))
                                    (O (10 1))
                                    (O (10 2))
                                    (P (12 1) (16 1) (17 1) (18 2))
                                    (O (15 1) (19 1))
                                    (O (15 1))
                                    (O (15 2))
                                    (C (16 1) (20 1))
                                    (C (19 1) (21 1) (22 1))
                                    (C (20 1) (23 1) (24 1))
                                    (O (20 1) (25 1))
                                    (C (21 1) (26 1) (25 1))
                                    (O (21 1))
                                    (C (22 1) (27 1) (23 1))
                                    (O (23 1))
                                    (R (25 1))))
(NUC-5-PHOSPHATE "a nucleoside-5'-phosphate" NIL ((O (14 2))
                                                  (O (10 1))
                                                  (O (11 1))
                                                  (O (14 1))
                                                  (O (14 1))
                                                  (R1 (12 1))
                                                  (C (13 1) (8 1))
                                                  (O (14 1) (7 1))
                                                  (O (13 1) (12 1))
                                                  (C
                                                   (12 1)
                                                   (11 1)
                                                   (2 1))
                                                  (C
                                                   (13 1)
                                                   (10 1)
                                                   (3 1))
                                                  (C
                                                   (10 1)
                                                   (9 1)
                                                   (6 1))
                                                  (C
                                                   (11 1)
                                                   (9 1)
                                                   (7 1))
                                                  (P
                                                   (8 1)
                                                   (5 1)
                                                   (4 1)
                                                   (1 2))))
(Ribonucleoside-Monophosphates "a ribonucleoside monophosphate" NIL ((O
                                                                      (14
                                                                       2))
                                                                     (O
                                                                      (10
                                                                       1))
                                                                     (O
                                                                      (11
                                                                       1))
                                                                     (O
                                                                      (14
                                                                       1))
                                                                     (O
                                                                      (14
                                                                       1))
                                                                     (R
                                                                      (12
                                                                       1))
                                                                     (C
                                                                      (8
                                                                       1)
                                                                      (13
                                                                       1))
                                                                     (O
                                                                      (7
                                                                       1)
                                                                      (14
                                                                       1))
                                                                     (O
                                                                      (12
                                                                       1)
                                                                      (13
                                                                       1))
                                                                     (C
                                                                      (2
                                                                       1)
                                                                      (11
                                                                       1)
                                                                      (12
                                                                       1))
                                                                     (C
                                                                      (3
                                                                       1)
                                                                      (10
                                                                       1)
                                                                      (13
                                                                       1))
                                                                     (C
                                                                      (6
                                                                       1)
                                                                      (9
                                                                       1)
                                                                      (10
                                                                       1))
                                                                     (C
                                                                      (7
                                                                       1)
                                                                      (9
                                                                       1)
                                                                      (11
                                                                       1))
                                                                     (P
                                                                      (1
                                                                       2)
                                                                      (4
                                                                       1)
                                                                      (5
                                                                       1)
                                                                      (8
                                                                       1))))
(Ribonucleoside-Triphosphates "a ribonucleoside triphosphate" NIL ((O
                                                                    (20
                                                                     2))
                                                                   (O
                                                                    (21
                                                                     2))
                                                                   (O
                                                                    (22
                                                                     2))
                                                                   (O
                                                                    (16
                                                                     1))
                                                                   (O
                                                                    (17
                                                                     1))
                                                                   (O
                                                                    (20
                                                                     1))
                                                                   (O
                                                                    (20
                                                                     1))
                                                                   (O
                                                                    (21
                                                                     1))
                                                                   (O
                                                                    (22
                                                                     1))
                                                                   (R
                                                                    (18
                                                                     1))
                                                                   (C
                                                                    (12
                                                                     1)
                                                                    (19
                                                                     1))
                                                                   (O
                                                                    (11
                                                                     1)
                                                                    (21
                                                                     1))
                                                                   (O
                                                                    (18
                                                                     1)
                                                                    (19
                                                                     1))
                                                                   (O
                                                                    (20
                                                                     1)
                                                                    (22
                                                                     1))
                                                                   (O
                                                                    (21
                                                                     1)
                                                                    (22
                                                                     1))
                                                                   (C
                                                                    (4
                                                                     1)
                                                                    (17
                                                                     1)
                                                                    (18
                                                                     1))
                                                                   (C
                                                                    (5
                                                                     1)
                                                                    (16
                                                                     1)
                                                                    (19
                                                                     1))
                                                                   (C
                                                                    (10
                                                                     1)
                                                                    (13
                                                                     1)
                                                                    (16
                                                                     1))
                                                                   (C
                                                                    (11
                                                                     1)
                                                                    (13
                                                                     1)
                                                                    (17
                                                                     1))
                                                                   (P
                                                                    (1
                                                                     2)
                                                                    (6
                                                                     1)
                                                                    (7
                                                                     1)
                                                                    (14
                                                                     1))
                                                                   (P
                                                                    (2
                                                                     2)
                                                                    (8
                                                                     1)
                                                                    (12
                                                                     1)
                                                                    (15
                                                                     1))
                                                                   (P
                                                                    (3
                                                                     2)
                                                                    (9
                                                                     1)
                                                                    (14
                                                                     1)
                                                                    (15
                                                                     1))))
(N6-Alkylaminopurine "an N6-alkylaminopurine" NIL ((R (7 1))
                                                   (C
                                                    (4 :AROMATIC)
                                                    (5 :AROMATIC))
                                                   (C
                                                    (6 :AROMATIC)
                                                    (8 :AROMATIC))
                                                   (N
                                                    (2 :AROMATIC)
                                                    (9 :AROMATIC))
                                                   (N
                                                    (2 :AROMATIC)
                                                    (10 :AROMATIC))
                                                   (N
                                                    (3 :AROMATIC)
                                                    (11 :AROMATIC))
                                                   (N (1 1) (9 1))
                                                   (N
                                                    (3 :AROMATIC)
                                                    (10 :AROMATIC))
                                                   (C
                                                    (4 :AROMATIC)
                                                    (7 1)
                                                    (11 :AROMATIC))
                                                   (C
                                                    (5 :AROMATIC)
                                                    (8 :AROMATIC)
                                                    (11 :AROMATIC))
                                                   (C
                                                    (6 :AROMATIC)
                                                    (9 :AROMATIC)
                                                    (10 :AROMATIC))))
(N6-Alkylaminopurine-glucoside "an N6-alkylaminopurine-7-beta-D-glucoside" NIL ((O
                                                                                 (8
                                                                                  1))
                                                                                (O
                                                                                 (17
                                                                                  1))
                                                                                (O
                                                                                 (18
                                                                                  1))
                                                                                (O
                                                                                 (19
                                                                                  1))
                                                                                (R
                                                                                 (12
                                                                                  1))
                                                                                (C
                                                                                 (9
                                                                                  :AROMATIC)
                                                                                 (10
                                                                                  :AROMATIC))
                                                                                (C
                                                                                 (11
                                                                                  :AROMATIC)
                                                                                 (22
                                                                                  :AROMATIC))
                                                                                (C
                                                                                 (1
                                                                                  1)
                                                                                 (20
                                                                                  1))
                                                                                (N
                                                                                 (6
                                                                                  :AROMATIC)
                                                                                 (14
                                                                                  :AROMATIC))
                                                                                (N
                                                                                 (6
                                                                                  :AROMATIC)
                                                                                 (15
                                                                                  :AROMATIC))
                                                                                (N
                                                                                 (7
                                                                                  :AROMATIC)
                                                                                 (15
                                                                                  :AROMATIC))
                                                                                (N
                                                                                 (5
                                                                                  1)
                                                                                 (14
                                                                                  1))
                                                                                (O
                                                                                 (20
                                                                                  1)
                                                                                 (21
                                                                                  1))
                                                                                (C
                                                                                 (9
                                                                                  :AROMATIC)
                                                                                 (12
                                                                                  1)
                                                                                 (16
                                                                                  :AROMATIC))
                                                                                (C
                                                                                 (10
                                                                                  :AROMATIC)
                                                                                 (11
                                                                                  :AROMATIC)
                                                                                 (16
                                                                                  :AROMATIC))
                                                                                (C
                                                                                 (14
                                                                                  :AROMATIC)
                                                                                 (15
                                                                                  :AROMATIC)
                                                                                 (22
                                                                                  :AROMATIC))
                                                                                (C
                                                                                 (2
                                                                                  1)
                                                                                 (18
                                                                                  1)
                                                                                 (19
                                                                                  1))
                                                                                (C
                                                                                 (3
                                                                                  1)
                                                                                 (17
                                                                                  1)
                                                                                 (20
                                                                                  1))
                                                                                (C
                                                                                 (4
                                                                                  1)
                                                                                 (17
                                                                                  1)
                                                                                 (21
                                                                                  1))
                                                                                (C
                                                                                 (8
                                                                                  1)
                                                                                 (13
                                                                                  1)
                                                                                 (18
                                                                                  1))
                                                                                (C
                                                                                 (13
                                                                                  1)
                                                                                 (19
                                                                                  1)
                                                                                 (22
                                                                                  1))
                                                                                (N
                                                                                 (7
                                                                                  :AROMATIC)
                                                                                 (16
                                                                                  :AROMATIC)
                                                                                 (21
                                                                                  1))))
(Aliphatic-Amides "an aliphatic amide" NIL ((O (5 2))
                                            (R (4 1))
                                            (R (5 1))
                                            (N (2 1) (5 1))
                                            (C (1 2) (3 1) (4 1))))
(Monocarboxylic-Acid-Amides "a monocarboxylic-acid-amide" NIL ((N
                                                                (4 1))
                                                               (O
                                                                (4 2))
                                                               (R
                                                                (4 1))
                                                               (C
                                                                (1 1)
                                                                (2 2)
                                                                (3 1))))
(2-Oxo-Acids "a 2-oxo acid" NIL ((O (3 1))
                                 (O (3 2))
                                 (C (1 1) (2 2) (4 1))
                                 (C (3 1) (6 2) (5 1))
                                 (R (4 1))
                                 (O (4 2))))
(Aromatic-Oxoacids "an aromatic oxo-acid" NIL ((O (5 2))
                                               (O (5 1))
                                               (O (6 1))
                                               (R (6 1))
                                               (C (1 2) (2 1) (6 1))
                                               (C (3 1) (4 1) (5 1))))
(Carboxylates "a carboxylate" NIL ((R (2 1))
                                   (C (1 1) (3 2) (4 1))
                                   (O (2 2))
                                   (O (2 1))))
(Monocarboxylates "a monocarboxylate" NIL ((O (4 2))
                                           (O (- 1) (4 1))
                                           (R (4 1))
                                           (C (1 2) (2 1) (3 1))))
(a fatty acid "a fatty acid" NIL ((R (2 1))
                                  (C (1 1) (3 1))
                                  (C (2 1) (4 1) (5 2))
                                  (O (3 1))
                                  (O (3 2))))
(Long-Chain-Carboxylates "a long chain carboxylate" NIL ((R (2 1))
                                                         (C
                                                          (4 1)
                                                          (3 2)
                                                          (1 1))
                                                         (O (2 2))
                                                         (O (2 1))))
(2R-HYDROPEROXY-FATTY-ACIDS "a 2(R)-hydroperoxy fatty acid" NIL ((O
                                                                  (6
                                                                   2))
                                                                 (O
                                                                  (5
                                                                   1))
                                                                 (O
                                                                  (6
                                                                   1))
                                                                 (R
                                                                  (7
                                                                   1))
                                                                 (O
                                                                  (2 1)
                                                                  (7
                                                                   1))
                                                                 (C
                                                                  (1 2)
                                                                  (3 1)
                                                                  (7
                                                                   1))
                                                                 (C
                                                                  (4 1)
                                                                  (5 1)
                                                                  (6
                                                                   1))))
(2R-HYDROXY-FATTY-ACIDS "a 2(R)-hydroxy fatty acid" NIL ((C
                                                          (6 1)
                                                          (3 1)
                                                          (4 2))
                                                         (O (6 1))
                                                         (O (1 1))
                                                         (O (1 2))
                                                         (R (6 1))
                                                         (C
                                                          (1 1)
                                                          (5 1)
                                                          (2 1))))
(Fatty-Acid-Methyl-Esters "a fatty acid methyl ester" NIL ((C (5 1))
                                                           (O (6 2))
                                                           (R (4 1))
                                                           (C
                                                            (3 1)
                                                            (6 1))
                                                           (O
                                                            (1 1)
                                                            (6 1))
                                                           (C
                                                            (2 2)
                                                            (4 1)
                                                            (5 1))))
(Lactate "lactate" NIL ((C (6 1)) (O (5 2)) (O (5 1)) (O (6 1))
                        (C (6 1) (3 1) (2 2)) (C (5 1) (4 1) (1 1))))
(R-2-Haloacids "an (R)-2-haloacid" NIL ((H (5 1))
                                        (O (4 2))
                                        (O (4 1))
                                        (C (2 2) (3 1) (5 1))
                                        (C (1 1) (6 1) (7 1) (4 1))
                                        (R1 (5 1))
                                        (R2 (5 1))))
(R-2-Hydroxyacids "an (R)-2-hydroxyacid" NIL ((H (5 1))
                                              (O (4 2))
                                              (O (4 1))
                                              (C (2 2) (3 1) (5 1))
                                              (C
                                               (1 1)
                                               (7 1)
                                               (6 1)
                                               (4 1))
                                              (R1 (5 1))
                                              (O (5 1))))
(S-2-Hydroxyacids1 "an (S)-2-hydroxyacid" NIL ((H (7 1))
                                               (O (6 2))
                                               (O (6 1))
                                               (O (7 1))
                                               (R1 (7 1))
                                               (C (2 2) (3 1) (7 1))
                                               (C
                                                (1 1)
                                                (4 1)
                                                (5 1)
                                                (6 1))))
(an aldehyde "an aldehyde" NIL ((H (4 1))
                                (O (4 2))
                                (R (4 1))
                                (C (1 1) (2 2) (3 1))))
(LONG-CHAIN-KETONE "a ketone" NIL ((C (3 1) (4 1) (2 2))
                                   (O (1 2))
                                   (R1 (1 1))
                                   (R2 (1 1))))
(a fatty aldehyde "a fatty aldehyde" NIL ((H (5 1))
                                          (O (5 2))
                                          (R (4 1))
                                          (C (3 1) (5 1))
                                          (C (1 1) (2 2) (4 1))))
(Lactaldehydes "DL-lactaldehyde" NIL ((O (2 2))
                                      (C (3 1) (1 2))
                                      (C (5 1) (4 1) (2 1))
                                      (C (3 1))
                                      (O (3 1))))
(Aromatic-Acid "an aromatic carboxylate" NIL ((R (2 1))
                                              (C (1 1) (3 2) (4 1))
                                              (O (2 2))
                                              (O (2 1))))
(Aryl-Alcohol "a phenol" NIL ((O (2 1)) (R (1 1))))
(Aryl-Aldehyde "an aryl aldehyde" NIL ((O (3 2))
                                       (R (3 1))
                                       (C (1 2) (2 1))))
(s-Triazines "s-triazine" NIL ((C (4 1) (5 2)) (C (4 2) (6 1))
                               (C (6 2) (5 1)) (N (1 1) (2 2))
                               (N (1 2) (3 1)) (N (2 1) (3 2))))
(Aromatic-Primary-Alcohols "an aromatic primary alcohol" NIL ((O (2 1))
                                                              (R
                                                               (1 1))))
(Factor-420 "cofactor F420" NIL ((C (2 1) (3 2))
                                 (C (30 1) (14 2) (1 1))
                                 (C (7 1) (1 2))
                                 (C (14 1) (5 1) (7 2))
                                 (N (32 1) (8 1) (4 1))
                                 (C (7 1) (13 2))
                                 (C (6 1) (4 2) (3 1))
                                 (C (9 2) (13 1) (5 1))
                                 (N (10 1) (8 2))
                                 (C (16 2) (11 1) (9 1))
                                 (N (12 1) (10 1))
                                 (C (15 2) (13 1) (11 1))
                                 (C (12 1) (8 1) (6 2))
                                 (C (4 1) (2 2))
                                 (O (12 2))
                                 (O (10 2))
                                 (C (32 1) (21 1) (18 1))
                                 (C (22 1) (19 1) (17 1))
                                 (C (23 1) (20 1) (18 1))
                                 (C (24 1) (19 1))
                                 (O (17 1))
                                 (O (18 1))
                                 (O (19 1))
                                 (O (25 1) (20 1))
                                 (P (28 1) (27 2) (26 1) (24 1))
                                 (O (33 1) (25 1))
                                 (O (25 2))
                                 (O (25 1))
                                 (O (35 2))
                                 (O (2 1))
                                 (C (33 1))
                                 (C (17 1) (5 1))
                                 (C (31 1) (35 1) (26 1) (34 1))
                                 (H (33 1))
                                 (C (29 2) (33 1) (36 1))
                                 (R1 (35 1))))
(Methanofurans "methanofuran" NIL ((O (4 1) (3 1))
                                   (C (4 2) (6 1))
                                   (C (1 1) (6 2))
                                   (C (5 1) (1 1) (2 2))
                                   (C (8 1) (4 1))
                                   (C (7 1) (3 2) (2 1))
                                   (C (9 1) (6 1))
                                   (N (+ 1) (5 1))
                                   (O (7 1) (10 1))
                                   (C (9 1) (11 2) (14 :AROMATIC))
                                   (C (10 2) (12 1))
                                   (C (11 1) (15 2))
                                   (C (15 1) (14 2))
                                   (C (10 :AROMATIC) (13 2))
                                   (C (16 1) (12 2) (13 1))
                                   (C (17 1) (15 1))
                                   (C (19 1) (16 1))
                                   (C (22 1) (20 1))
                                   (N (20 1) (17 1))
                                   (C (21 2) (18 1) (19 1))
                                   (O (20 2))
                                   (C (37 1) (18 1))
                                   (C (37 1) (24 2) (25 1))
                                   (O (23 2))
                                   (O (23 1))
                                   (N (28 1) (37 1))
                                   (O (28 2))
                                   (C (29 1) (27 2) (26 1))
                                   (C (30 1) (28 1))
                                   (C (36 1) (29 1))
                                   (C (32 2) (33 1) (36 1))
                                   (O (31 2))
                                   (O (31 1))
                                   (N (36 1) (35 1))
                                   (R1 (34 1))
                                   (C (31 1) (34 1) (30 1))
                                   (C (26 1) (22 1) (23 1))))
(2-trans-4-cis-dienoyl-CoAs "a 2-trans-4-cis-dienoyl-CoA" NIL ((C
                                                                (7 2)
                                                                (2 1)
                                                                (55 1))
                                                               (C
                                                                (1 1)
                                                                (3 2))
                                                               (C
                                                                (4 1)
                                                                (2 2))
                                                               (C
                                                                (5 2)
                                                                (3 1))
                                                               (C
                                                                (6 1)
                                                                (4 2))
                                                               (R1
                                                                (5 1))
                                                               (O
                                                                (1 2))
                                                               (C
                                                                (9 1)
                                                                (54 1))
                                                               (N
                                                                (10 1)
                                                                (8 1))
                                                               (C
                                                                (12 1)
                                                                (11 2)
                                                                (9 1))
                                                               (O
                                                                (10 2))
                                                               (C
                                                                (13 1)
                                                                (10 1))
                                                               (C
                                                                (14 1)
                                                                (12 1))
                                                               (N
                                                                (15 1)
                                                                (13 1))
                                                               (C
                                                                (17 1)
                                                                (16 2)
                                                                (14 1))
                                                               (O
                                                                (15 2))
                                                               (C
                                                                (19 1)
                                                                (18 1)
                                                                (15 1))
                                                               (O
                                                                (17 1))
                                                               (C
                                                                (22 1)
                                                                (21 1)
                                                                (20 1)
                                                                (17 1))
                                                               (C
                                                                (19 1))
                                                               (C
                                                                (19 1))
                                                               (C
                                                                (23 1)
                                                                (19 1))
                                                               (O
                                                                (24 1)
                                                                (22 1))
                                                               (P
                                                                (27 1)
                                                                (26 2)
                                                                (25 1)
                                                                (23 1))
                                                               (O
                                                                (24 1))
                                                               (O
                                                                (24 2))
                                                               (O
                                                                (28 1)
                                                                (24 1))
                                                               (P
                                                                (31 1)
                                                                (30 2)
                                                                (29 1)
                                                                (27 1))
                                                               (O
                                                                (28 1))
                                                               (O
                                                                (28 2))
                                                               (O
                                                                (32 1)
                                                                (28 1))
                                                               (C
                                                                (33 1)
                                                                (31 1))
                                                               (C
                                                                (38 1)
                                                                (34 1)
                                                                (32 1))
                                                               (O
                                                                (35 1)
                                                                (33 1))
                                                               (C
                                                                (44 1)
                                                                (36 1)
                                                                (34 1))
                                                               (C
                                                                (38 1)
                                                                (37 1)
                                                                (35 1))
                                                               (O
                                                                (36 1))
                                                               (C
                                                                (39 1)
                                                                (36 1)
                                                                (33 1))
                                                               (O
                                                                (40 1)
                                                                (38 1))
                                                               (P
                                                                (43 2)
                                                                (42 1)
                                                                (41 1)
                                                                (39 1))
                                                               (O
                                                                (40 1))
                                                               (O
                                                                (40 1))
                                                               (O
                                                                (40 2))
                                                               (N
                                                                (48
                                                                 :AROMATIC)
                                                                (45
                                                                 :AROMATIC)
                                                                (35 1))
                                                               (C
                                                                (46
                                                                 :AROMATIC)
                                                                (44
                                                                 :AROMATIC))
                                                               (N
                                                                (47
                                                                 :AROMATIC)
                                                                (45
                                                                 :AROMATIC))
                                                               (C
                                                                (52
                                                                 :AROMATIC)
                                                                (48
                                                                 :AROMATIC)
                                                                (46
                                                                 :AROMATIC))
                                                               (C
                                                                (49
                                                                 :AROMATIC)
                                                                (47
                                                                 :AROMATIC)
                                                                (44
                                                                 :AROMATIC))
                                                               (N
                                                                (50
                                                                 :AROMATIC)
                                                                (48
                                                                 :AROMATIC))
                                                               (C
                                                                (51
                                                                 :AROMATIC)
                                                                (49
                                                                 :AROMATIC))
                                                               (N
                                                                (52
                                                                 :AROMATIC)
                                                                (50
                                                                 :AROMATIC))
                                                               (C
                                                                (53 1)
                                                                (51
                                                                 :AROMATIC)
                                                                (47
                                                                 :AROMATIC))
                                                               (N
                                                                (52 1))
                                                               (C
                                                                (8 1)
                                                                (55 1))
                                                               (S
                                                                (54 1)
                                                                (1 1))))
(3-HYDROXYACYL-COA "a 3-hydroxyacyl-CoA" NIL ((O (43 1))
                                              (C (12 1) (52 1))
                                              (C (28 1) (53 1) (27 1))
                                              (H (56 1))
                                              (N (46 1) (44 1))
                                              (H (12 1))
                                              (O (43 1) (11 1))
                                              (C (17 1) (14 1))
                                              (H (30 1))
                                              (O (35 2))
                                              (C (7 1) (41 1))
                                              (C
                                               (2 1)
                                               (6 1)
                                               (13 1)
                                               (56 1))
                                              (O (12 1) (32 1))
                                              (C (8 1) (46 1))
                                              (O (33 2))
                                              (N
                                               (21 :AROMATIC)
                                               (23 :AROMATIC))
                                              (N (8 1) (35 1))
                                              (O (19 2))
                                              (P
                                               (18 2)
                                               (52 1)
                                               (37 1)
                                               (40 1))
                                              (C (39 1) (28 1) (51 2))
                                              (C
                                               (16 :AROMATIC)
                                               (22 :AROMATIC)
                                               (24 :AROMATIC))
                                              (C
                                               (21 :AROMATIC)
                                               (36 :AROMATIC)
                                               (49 :AROMATIC))
                                              (C
                                               (16 :AROMATIC)
                                               (36 :AROMATIC))
                                              (C
                                               (21 :AROMATIC)
                                               (58 :AROMATIC)
                                               (48 1))
                                              (C (41 1))
                                              (H (32 1))
                                              (R (3 1))
                                              (C (3 1) (20 1))
                                              (O (46 2))
                                              (C
                                               (9 1)
                                               (32 1)
                                               (54 1)
                                               (56 1))
                                              (O (43 2))
                                              (C
                                               (13 1)
                                               (26 1)
                                               (36 1)
                                               (30 1))
                                              (P
                                               (15 2)
                                               (50 1)
                                               (38 1)
                                               (47 1))
                                              (O (57 1))
                                              (C (10 2) (17 1) (57 1))
                                              (N
                                               (22 :AROMATIC)
                                               (32 1)
                                               (23 :AROMATIC))
                                              (O (19 1) (43 1))
                                              (O (33 1))
                                              (S (20 1) (55 1))
                                              (O (19 1))
                                              (C
                                               (25 1)
                                               (11 1)
                                               (45 1)
                                               (57 1))
                                              (C
                                               (49 :AROMATIC)
                                               (58 :AROMATIC))
                                              (P
                                               (1 1)
                                               (7 1)
                                               (31 2)
                                               (37 1))
                                              (C (5 1) (55 1))
                                              (C (41 1))
                                              (C (5 1) (29 2) (14 1))
                                              (O (33 1))
                                              (N (24 1))
                                              (N
                                               (42 :AROMATIC)
                                               (22 :AROMATIC))
                                              (O (33 1) (56 1))
                                              (O (20 2))
                                              (O (19 1) (2 1))
                                              (O (3 1))
                                              (O (30 1))
                                              (C (39 1) (44 1))
                                              (C
                                               (4 1)
                                               (12 1)
                                               (50 1)
                                               (30 1))
                                              (C (34 1) (35 1) (41 1))
                                              (N
                                               (24 :AROMATIC)
                                               (42 :AROMATIC))))
(3-KETOACYL-COA "a 3-ketoacyl-CoA" NIL ((C (48 1) (45 2) (8 1))
                                        (C (57 1) (22 1) (55 1))
                                        (O (57 2))
                                        (C (20 2) (18 1) (10 1))
                                        (C (50 1) (13 1) (11 1) (33 1))
                                        (C (15 1) (48 1))
                                        (C (34 1) (31 2) (18 1))
                                        (C (25 1) (1 1))
                                        (C (55 1))
                                        (S (15 1) (4 1))
                                        (C (52 1) (49 1) (42 1) (5 1))
                                        (C
                                         (33 :AROMATIC)
                                         (27 :AROMATIC)
                                         (46 :AROMATIC))
                                        (O (47 1) (5 1))
                                        (H (47 1))
                                        (C (6 1) (10 1))
                                        (O (56 1))
                                        (O (39 1) (19 1))
                                        (C (4 1) (7 1))
                                        (P (35 2) (28 1) (38 1) (17 1))
                                        (O (4 2))
                                        (C
                                         (26 :AROMATIC)
                                         (27 :AROMATIC))
                                        (O (2 1))
                                        (C
                                         (46 :AROMATIC)
                                         (43 1)
                                         (26 :AROMATIC))
                                        (N
                                         (46 :AROMATIC)
                                         (58 :AROMATIC))
                                        (C (51 1) (8 1))
                                        (N
                                         (21 :AROMATIC)
                                         (23 :AROMATIC))
                                        (N
                                         (12 :AROMATIC)
                                         (21 :AROMATIC))
                                        (O (19 1))
                                        (O (39 2))
                                        (H (42 1))
                                        (O (7 2))
                                        (C (55 1))
                                        (N
                                         (58 :AROMATIC)
                                         (12 :AROMATIC)
                                         (5 1))
                                        (R (7 1))
                                        (O (19 2))
                                        (C (55 1) (41 1))
                                        (C (38 1) (47 1))
                                        (O (37 1) (19 1))
                                        (P (53 1) (41 1) (17 1) (29 2))
                                        (O (56 2))
                                        (O (39 1) (36 1))
                                        (C (47 1) (11 1) (54 1) (30 1))
                                        (N (23 1))
                                        (O (56 1))
                                        (O (1 2))
                                        (C
                                         (23 :AROMATIC)
                                         (24 :AROMATIC)
                                         (12 :AROMATIC))
                                        (C (42 1) (13 1) (37 1) (14 1))
                                        (N (1 1) (6 1))
                                        (O (11 1))
                                        (H (5 1))
                                        (N (57 1) (25 1))
                                        (H (11 1))
                                        (O (39 1))
                                        (O (56 1) (42 1))
                                        (C (36 1) (32 1) (9 1) (2 1))
                                        (P (54 1) (44 1) (40 2) (16 1))
                                        (C (2 1) (51 1) (3 2))
                                        (C
                                         (33 :AROMATIC)
                                         (24 :AROMATIC))))
(ACYL-COA "an acyl-CoA" NIL ((P (18 1) (23 1) (40 1) (50 2)) (O (35 1))
                             (N (15 1) (49 1)) (O (51 1))
                             (C (32 :AROMATIC) (9 :AROMATIC)
                                (54 :AROMATIC))
                             (N (17 1)) (O (34 2)) (C (45 1) (38 1))
                             (N (5 :AROMATIC) (21 :AROMATIC) (36 1))
                             (O (51 2)) (C (55 1) (20 1) (31 1) (42 1))
                             (N (34 1) (53 1)) (C (49 1) (16 1))
                             (C (25 1) (18 1) (30 1) (45 1))
                             (C (3 1) (28 1) (24 2)) (S (13 1) (27 1))
                             (C (6 1) (29 :AROMATIC) (32 :AROMATIC))
                             (O (1 1) (14 1)) (O (42 1)) (C (11 1))
                             (C (9 :AROMATIC) (46 :AROMATIC))
                             (O (25 1)) (O (1 1)) (O (15 2))
                             (C (14 1) (22 1) (36 1) (37 1)) (H (45 1))
                             (C (39 1) (16 1) (44 2)) (C (15 1) (53 1))
                             (N (17 :AROMATIC) (43 :AROMATIC))
                             (H (14 1)) (C (11 1))
                             (C (5 :AROMATIC) (17 :AROMATIC)
                                (46 :AROMATIC))
                             (O (35 2)) (C (7 2) (12 1) (42 1))
                             (P (2 1) (33 2) (48 1) (41 1))
                             (C (25 1) (9 1) (47 1) (52 1)) (H (25 1))
                             (O (8 1) (51 1)) (R (27 1)) (O (1 1))
                             (O (35 1) (55 1)) (C (19 1) (34 1) (11 1))
                             (C (29 :AROMATIC) (54 :AROMATIC))
                             (O (27 2)) (C (8 1) (26 1) (14 1) (52 1))
                             (N (32 :AROMATIC) (21 :AROMATIC))
                             (H (36 1)) (O (35 1) (51 1))
                             (C (13 1) (3 1)) (O (1 2))
                             (P (4 1) (10 2) (48 1) (38 1))
                             (O (45 1) (36 1)) (C (28 1) (12 1))
                             (N (43 :AROMATIC) (5 :AROMATIC))
                             (C (11 1) (41 1))))
(Cis-2-enoyl-CoAs "a cis-2-enoyl-CoA" NIL ((C (53 1) (2 1) (4 2))
                                           (C (3 2) (1 1))
                                           (C (2 2) (5 1))
                                           (O (1 2))
                                           (R1 (3 1))
                                           (C (52 1) (7 1))
                                           (N (6 1) (8 1))
                                           (C (7 1) (9 2) (10 1))
                                           (O (8 2))
                                           (C (8 1) (11 1))
                                           (C (10 1) (12 1))
                                           (N (11 1) (13 1))
                                           (C (12 1) (14 2) (15 1))
                                           (O (13 2))
                                           (C (13 1) (16 1) (17 1))
                                           (O (15 1))
                                           (C
                                            (15 1)
                                            (18 1)
                                            (19 1)
                                            (20 1))
                                           (C (17 1))
                                           (C (17 1))
                                           (C (17 1) (21 1))
                                           (O (20 1) (22 1))
                                           (P
                                            (21 1)
                                            (23 1)
                                            (24 2)
                                            (25 1))
                                           (O (- 1) (22 1))
                                           (O (22 2))
                                           (O (22 1) (26 1))
                                           (P
                                            (25 1)
                                            (27 1)
                                            (28 2)
                                            (29 1))
                                           (O (- 1) (26 1))
                                           (O (26 2))
                                           (O (26 1) (30 1))
                                           (C (29 1) (31 1))
                                           (C (30 1) (32 1) (36 1))
                                           (O (31 1) (33 1))
                                           (C (32 1) (34 1) (42 1))
                                           (C (33 1) (35 1) (36 1))
                                           (O (34 1))
                                           (C (31 1) (34 1) (37 1))
                                           (O (36 1) (38 1))
                                           (P
                                            (37 1)
                                            (39 1)
                                            (40 1)
                                            (41 2))
                                           (O (- 1) (38 1))
                                           (O (- 1) (38 1))
                                           (O (38 2))
                                           (N
                                            (33 1)
                                            (43 :AROMATIC)
                                            (46 :AROMATIC))
                                           (C
                                            (42 :AROMATIC)
                                            (44 :AROMATIC))
                                           (N
                                            (43 :AROMATIC)
                                            (45 :AROMATIC))
                                           (C
                                            (44 :AROMATIC)
                                            (46 :AROMATIC)
                                            (50 :AROMATIC))
                                           (C
                                            (42 :AROMATIC)
                                            (45 :AROMATIC)
                                            (47 :AROMATIC))
                                           (N
                                            (46 :AROMATIC)
                                            (48 :AROMATIC))
                                           (C
                                            (47 :AROMATIC)
                                            (49 :AROMATIC))
                                           (N
                                            (48 :AROMATIC)
                                            (50 :AROMATIC))
                                           (C
                                            (45 :AROMATIC)
                                            (49 :AROMATIC)
                                            (51 1))
                                           (N (50 1))
                                           (C (53 1) (6 1))
                                           (S (1 1) (52 1))))
(CIS-DELTA3-ENOYL-COA "a cis-3-enoyl-CoA" NIL ((C (2 2) (49 1) (54 1))
                                               (O (1 2))
                                               (C (4 1) (53 1))
                                               (N (5 1) (3 1))
                                               (C (7 1) (6 2) (4 1))
                                               (O (5 2))
                                               (C (8 1) (5 1))
                                               (C (9 1) (7 1))
                                               (N (10 1) (8 1))
                                               (C (12 1) (11 2) (9 1))
                                               (O (10 2))
                                               (C (14 1) (13 1) (10 1))
                                               (O (12 1))
                                               (C
                                                (17 1)
                                                (16 1)
                                                (15 1)
                                                (12 1))
                                               (C (14 1))
                                               (C (14 1))
                                               (C (18 1) (14 1))
                                               (O (19 1) (17 1))
                                               (P
                                                (22 1)
                                                (21 2)
                                                (20 1)
                                                (18 1))
                                               (O (- 1) (19 1))
                                               (O (19 2))
                                               (O (23 1) (19 1))
                                               (P
                                                (26 1)
                                                (25 2)
                                                (24 1)
                                                (22 1))
                                               (O (- 1) (23 1))
                                               (O (23 2))
                                               (O (27 1) (23 1))
                                               (C (28 1) (26 1))
                                               (C (33 1) (29 1) (27 1))
                                               (O (30 1) (28 1))
                                               (C (39 1) (31 1) (29 1))
                                               (C (33 1) (32 1) (30 1))
                                               (O (31 1))
                                               (C (34 1) (31 1) (28 1))
                                               (O (35 1) (33 1))
                                               (P
                                                (38 2)
                                                (37 1)
                                                (36 1)
                                                (34 1))
                                               (O (- 1) (35 1))
                                               (O (- 1) (35 1))
                                               (O (35 2))
                                               (N
                                                (43 :AROMATIC)
                                                (40 :AROMATIC)
                                                (30 1))
                                               (C
                                                (41 :AROMATIC)
                                                (39 :AROMATIC))
                                               (N
                                                (42 :AROMATIC)
                                                (40 :AROMATIC))
                                               (C
                                                (47 :AROMATIC)
                                                (43 :AROMATIC)
                                                (41 :AROMATIC))
                                               (C
                                                (44 :AROMATIC)
                                                (42 :AROMATIC)
                                                (39 :AROMATIC))
                                               (N
                                                (45 :AROMATIC)
                                                (43 :AROMATIC))
                                               (C
                                                (46 :AROMATIC)
                                                (44 :AROMATIC))
                                               (N
                                                (47 :AROMATIC)
                                                (45 :AROMATIC))
                                               (C
                                                (48 1)
                                                (46 :AROMATIC)
                                                (42 :AROMATIC))
                                               (N (47 1))
                                               (C (1 1) (50 1))
                                               (C (49 1) (51 2))
                                               (C (50 2) (52 1))
                                               (R1 (51 1))
                                               (C (3 1) (54 1))
                                               (S (53 1) (1 1))))
(D-3-HYDROXYACYL-COA "an (R)-3-hydroxyacyl-CoA" NIL ((H (52 1))
                                                     (H (53 1))
                                                     (H (54 1))
                                                     (H (55 1))
                                                     (C (51 1))
                                                     (C (51 1))
                                                     (N (45 1))
                                                     (O (42 2))
                                                     (O (43 2))
                                                     (O (44 2))
                                                     (O (56 2))
                                                     (O (57 2))
                                                     (O (58 2))
                                                     (O (48 1))
                                                     (O (49 1))
                                                     (O (53 1))
                                                     (O (56 1))
                                                     (O (56 1))
                                                     (O (57 1))
                                                     (O (58 1))
                                                     (R (48 1))
                                                     (C
                                                      (31 :AROMATIC)
                                                      (32 :AROMATIC))
                                                     (C
                                                      (33 :AROMATIC)
                                                      (50 :AROMATIC))
                                                     (C (26 1) (34 1))
                                                     (C (27 1) (35 1))
                                                     (C (24 1) (41 1))
                                                     (C (25 1) (42 1))
                                                     (C (36 1) (51 1))
                                                     (C (37 1) (52 1))
                                                     (C (43 1) (48 1))
                                                     (N
                                                      (22 :AROMATIC)
                                                      (45 :AROMATIC))
                                                     (N
                                                      (22 :AROMATIC)
                                                      (47 :AROMATIC))
                                                     (N
                                                      (23 :AROMATIC)
                                                      (46 :AROMATIC))
                                                     (N (24 1) (42 1))
                                                     (N (25 1) (44 1))
                                                     (O (28 1) (57 1))
                                                     (O (29 1) (58 1))
                                                     (O (52 1) (54 1))
                                                     (O (55 1) (56 1))
                                                     (O (57 1) (58 1))
                                                     (S (26 1) (43 1))
                                                     (C
                                                      (8 2)
                                                      (27 1)
                                                      (34 1))
                                                     (C
                                                      (9 2)
                                                      (30 1)
                                                      (41 1))
                                                     (C
                                                      (10 2)
                                                      (35 1)
                                                      (49 1))
                                                     (C
                                                      (7 1)
                                                      (31 :AROMATIC)
                                                      (46 :AROMATIC))
                                                     (C
                                                      (33 :AROMATIC)
                                                      (45 :AROMATIC)
                                                      (47 :AROMATIC))
                                                     (C
                                                      (32 :AROMATIC)
                                                      (46 :AROMATIC)
                                                      (50 :AROMATIC))
                                                     (C
                                                      (14 1)
                                                      (21 1)
                                                      (30 1))
                                                     (C
                                                      (15 1)
                                                      (44 1)
                                                      (51 1))
                                                     (N
                                                      (23 :AROMATIC)
                                                      (47 :AROMATIC)
                                                      (54 1))
                                                     (C
                                                      (5 1)
                                                      (6 1)
                                                      (28 1)
                                                      (49 1))
                                                     (C
                                                      (1 1)
                                                      (29 1)
                                                      (38 1)
                                                      (55 1))
                                                     (C
                                                      (2 1)
                                                      (16 1)
                                                      (54 1)
                                                      (55 1))
                                                     (C
                                                      (3 1)
                                                      (38 1)
                                                      (50 1)
                                                      (53 1))
                                                     (C
                                                      (4 1)
                                                      (39 1)
                                                      (52 1)
                                                      (53 1))
                                                     (P
                                                      (11 2)
                                                      (17 1)
                                                      (18 1)
                                                      (39 1))
                                                     (P
                                                      (12 2)
                                                      (19 1)
                                                      (36 1)
                                                      (40 1))
                                                     (P
                                                      (13 2)
                                                      (20 1)
                                                      (37 1)
                                                      (40 1))))
(L-3-HYDROXYACYL-COA "a (3S)-3-hydroxyacyl-CoA" NIL ((O (33 1) (20 1))
                                                     (C
                                                      (6 :AROMATIC)
                                                      (32 :AROMATIC))
                                                     (C (24 1) (11 1))
                                                     (C (9 1))
                                                     (O (52 1))
                                                     (N
                                                      (25 :AROMATIC)
                                                      (2 :AROMATIC))
                                                     (O (42 2))
                                                     (C
                                                      (41 :AROMATIC)
                                                      (40 :AROMATIC))
                                                     (C
                                                      (49 1)
                                                      (34 1)
                                                      (31 1)
                                                      (4 1))
                                                     (H (44 1))
                                                     (N (36 1) (3 1))
                                                     (O (51 2))
                                                     (H (43 1))
                                                     (C (46 1) (18 1))
                                                     (C
                                                      (55 2)
                                                      (18 1)
                                                      (24 1))
                                                     (O (31 1) (52 1))
                                                     (C
                                                      (25 :AROMATIC)
                                                      (19 1)
                                                      (41 :AROMATIC))
                                                     (N (15 1) (14 1))
                                                     (N (17 1))
                                                     (C (44 1) (1 1))
                                                     (O (42 1))
                                                     (O (33 1))
                                                     (H (27 1))
                                                     (C (3 1) (15 1))
                                                     (C
                                                      (57 :AROMATIC)
                                                      (6 :AROMATIC)
                                                      (17 :AROMATIC))
                                                     (H (35 1))
                                                     (C
                                                      (38 1)
                                                      (32 1)
                                                      (43 1)
                                                      (23 1))
                                                     (O (43 1))
                                                     (O (42 1))
                                                     (O (33 2))
                                                     (C (16 1) (9 1))
                                                     (N
                                                      (57 :AROMATIC)
                                                      (27 1)
                                                      (2 :AROMATIC))
                                                     (P
                                                      (37 1)
                                                      (1 1)
                                                      (30 2)
                                                      (22 1))
                                                     (C
                                                      (54 1)
                                                      (36 1)
                                                      (9 1))
                                                     (C
                                                      (44 1)
                                                      (56 1)
                                                      (43 1)
                                                      (26 1))
                                                     (C
                                                      (45 2)
                                                      (34 1)
                                                      (11 1))
                                                     (O (52 1) (33 1))
                                                     (O (44 1) (27 1))
                                                     (C
                                                      (53 1)
                                                      (48 1)
                                                      (47 1))
                                                     (N
                                                      (57 :AROMATIC)
                                                      (8 :AROMATIC))
                                                     (N
                                                      (8 :AROMATIC)
                                                      (17 :AROMATIC))
                                                     (P
                                                      (56 1)
                                                      (29 1)
                                                      (21 1)
                                                      (7 2))
                                                     (C
                                                      (35 1)
                                                      (28 1)
                                                      (27 1)
                                                      (13 1))
                                                     (C
                                                      (38 1)
                                                      (35 1)
                                                      (20 1)
                                                      (10 1))
                                                     (O (36 2))
                                                     (C (50 1) (14 1))
                                                     (O (39 1))
                                                     (C (51 1) (39 1))
                                                     (C (9 1))
                                                     (S (51 1) (46 1))
                                                     (C
                                                      (50 1)
                                                      (48 1)
                                                      (12 2))
                                                     (P
                                                      (58 2)
                                                      (37 1)
                                                      (16 1)
                                                      (5 1))
                                                     (R (39 1))
                                                     (O (34 1))
                                                     (O (15 2))
                                                     (O (42 1) (35 1))
                                                     (C
                                                      (25 :AROMATIC)
                                                      (40 :AROMATIC)
                                                      (32 :AROMATIC))
                                                     (O (52 2))))
(TETRADEHYDROACYL-COA "a trans,trans-delta2-delta4-dienoyl-CoA" NIL ((C
                                                                      (33
                                                                       1))
                                                                     (O
                                                                      (32
                                                                       1)
                                                                      (31
                                                                       1))
                                                                     (H
                                                                      (55
                                                                       1))
                                                                     (N
                                                                      (17
                                                                       1))
                                                                     (O
                                                                      (31
                                                                       2))
                                                                     (O
                                                                      (41
                                                                       1))
                                                                     (H
                                                                      (34
                                                                       1))
                                                                     (O
                                                                      (31
                                                                       1))
                                                                     (N
                                                                      (38
                                                                       :AROMATIC)
                                                                      (49
                                                                       :AROMATIC)
                                                                      (55
                                                                       1))
                                                                     (O
                                                                      (41
                                                                       2))
                                                                     (C
                                                                      (48
                                                                       1)
                                                                      (18
                                                                       2))
                                                                     (N
                                                                      (29
                                                                       1)
                                                                      (14
                                                                       1))
                                                                     (C
                                                                      (18
                                                                       1)
                                                                      (44
                                                                       2))
                                                                     (C
                                                                      (12
                                                                       1)
                                                                      (47
                                                                       1))
                                                                     (O
                                                                      (46
                                                                       1))
                                                                     (O
                                                                      (20
                                                                       1))
                                                                     (C
                                                                      (4
                                                                       1)
                                                                      (30
                                                                       :AROMATIC)
                                                                      (56
                                                                       :AROMATIC))
                                                                     (C
                                                                      (13
                                                                       1)
                                                                      (11
                                                                       2))
                                                                     (O
                                                                      (48
                                                                       2))
                                                                     (C
                                                                      (16
                                                                       1)
                                                                      (25
                                                                       1)
                                                                      (34
                                                                       1)
                                                                      (55
                                                                       1))
                                                                     (N
                                                                      (37
                                                                       1)
                                                                      (24
                                                                       1))
                                                                     (P
                                                                      (58
                                                                       1)
                                                                      (27
                                                                       2)
                                                                      (39
                                                                       1)
                                                                      (42
                                                                       1))
                                                                     (C
                                                                      (33
                                                                       1))
                                                                     (C
                                                                      (21
                                                                       1)
                                                                      (26
                                                                       1))
                                                                     (H
                                                                      (20
                                                                       1))
                                                                     (C
                                                                      (24
                                                                       1)
                                                                      (29
                                                                       1))
                                                                     (O
                                                                      (22
                                                                       2))
                                                                     (C
                                                                      (54
                                                                       :AROMATIC)
                                                                      (30
                                                                       :AROMATIC))
                                                                     (C
                                                                      (12
                                                                       1)
                                                                      (26
                                                                       1)
                                                                      (52
                                                                       2))
                                                                     (N
                                                                      (17
                                                                       :AROMATIC)
                                                                      (28
                                                                       :AROMATIC))
                                                                     (P
                                                                      (5
                                                                       2)
                                                                      (8
                                                                       1)
                                                                      (2
                                                                       1)
                                                                      (58
                                                                       1))
                                                                     (C
                                                                      (2
                                                                       1)
                                                                      (53
                                                                       1))
                                                                     (C
                                                                      (1
                                                                       1)
                                                                      (23
                                                                       1)
                                                                      (57
                                                                       1)
                                                                      (46
                                                                       1))
                                                                     (C
                                                                      (7
                                                                       1)
                                                                      (36
                                                                       1)
                                                                      (20
                                                                       1)
                                                                      (53
                                                                       1))
                                                                     (N
                                                                      (49
                                                                       :AROMATIC)
                                                                      (56
                                                                       :AROMATIC))
                                                                     (O
                                                                      (34
                                                                       1)
                                                                      (41
                                                                       1))
                                                                     (C
                                                                      (21
                                                                       1)
                                                                      (46
                                                                       1)
                                                                      (51
                                                                       2))
                                                                     (C
                                                                      (9
                                                                       :AROMATIC)
                                                                      (56
                                                                       :AROMATIC)
                                                                      (54
                                                                       :AROMATIC))
                                                                     (O
                                                                      (22
                                                                       1))
                                                                     (O
                                                                      (55
                                                                       1)
                                                                      (53
                                                                       1))
                                                                     (P
                                                                      (6
                                                                       1)
                                                                      (10
                                                                       2)
                                                                      (36
                                                                       1)
                                                                      (50
                                                                       1))
                                                                     (O
                                                                      (22
                                                                       1)
                                                                      (57
                                                                       1))
                                                                     (H
                                                                      (53
                                                                       1))
                                                                     (C
                                                                      (13
                                                                       2)
                                                                      (59
                                                                       1))
                                                                     (S
                                                                      (47
                                                                       1)
                                                                      (48
                                                                       1))
                                                                     (C
                                                                      (15
                                                                       1)
                                                                      (37
                                                                       1)
                                                                      (33
                                                                       1))
                                                                     (C
                                                                      (45
                                                                       1)
                                                                      (14
                                                                       1))
                                                                     (C
                                                                      (11
                                                                       1)
                                                                      (19
                                                                       2)
                                                                      (45
                                                                       1))
                                                                     (C
                                                                      (35
                                                                       :AROMATIC)
                                                                      (9
                                                                       :AROMATIC))
                                                                     (O
                                                                      (41
                                                                       1))
                                                                     (O
                                                                      (37
                                                                       2))
                                                                     (O
                                                                      (29
                                                                       2))
                                                                     (C
                                                                      (32
                                                                       1)
                                                                      (43
                                                                       1)
                                                                      (40
                                                                       1)
                                                                      (34
                                                                       1))
                                                                     (N
                                                                      (28
                                                                       :AROMATIC)
                                                                      (38
                                                                       :AROMATIC))
                                                                     (C
                                                                      (3
                                                                       1)
                                                                      (40
                                                                       1)
                                                                      (9
                                                                       1)
                                                                      (20
                                                                       1))
                                                                     (C
                                                                      (38
                                                                       :AROMATIC)
                                                                      (35
                                                                       :AROMATIC)
                                                                      (17
                                                                       :AROMATIC))
                                                                     (C
                                                                      (33
                                                                       1)
                                                                      (42
                                                                       1))
                                                                     (O
                                                                      (22
                                                                       1)
                                                                      (31
                                                                       1))
                                                                     (R
                                                                      (44
                                                                       1))))
(Trans-3-enoyl-CoAs "a trans-3-enoyl-CoA" NIL ((C (54 1) (3 1) (2 2))
                                               (O (1 2))
                                               (C (1 1) (4 1))
                                               (C (3 1) (5 2))
                                               (C (6 1) (4 2))
                                               (R1 (5 1))
                                               (C (53 1) (8 1))
                                               (N (7 1) (9 1))
                                               (C (8 1) (10 2) (11 1))
                                               (O (9 2))
                                               (C (9 1) (12 1))
                                               (C (11 1) (13 1))
                                               (N (12 1) (14 1))
                                               (C (13 1) (15 2) (16 1))
                                               (O (14 2))
                                               (C (14 1) (17 1) (18 1))
                                               (O (16 1))
                                               (C
                                                (16 1)
                                                (19 1)
                                                (20 1)
                                                (21 1))
                                               (C (18 1))
                                               (C (18 1))
                                               (C (18 1) (22 1))
                                               (O (21 1) (23 1))
                                               (P
                                                (22 1)
                                                (24 1)
                                                (25 2)
                                                (26 1))
                                               (O (- 1) (23 1))
                                               (O (23 2))
                                               (O (23 1) (27 1))
                                               (P
                                                (26 1)
                                                (28 1)
                                                (29 2)
                                                (30 1))
                                               (O (- 1) (27 1))
                                               (O (27 2))
                                               (O (27 1) (31 1))
                                               (C (30 1) (32 1))
                                               (C (31 1) (33 1) (37 1))
                                               (O (32 1) (34 1))
                                               (C (33 1) (35 1) (43 1))
                                               (C (34 1) (36 1) (37 1))
                                               (O (35 1))
                                               (C (32 1) (35 1) (38 1))
                                               (O (37 1) (39 1))
                                               (P
                                                (38 1)
                                                (40 1)
                                                (41 1)
                                                (42 2))
                                               (O (- 1) (39 1))
                                               (O (- 1) (39 1))
                                               (O (39 2))
                                               (N
                                                (34 1)
                                                (44 :AROMATIC)
                                                (47 :AROMATIC))
                                               (C
                                                (43 :AROMATIC)
                                                (45 :AROMATIC))
                                               (N
                                                (44 :AROMATIC)
                                                (46 :AROMATIC))
                                               (C
                                                (45 :AROMATIC)
                                                (47 :AROMATIC)
                                                (51 :AROMATIC))
                                               (C
                                                (43 :AROMATIC)
                                                (46 :AROMATIC)
                                                (48 :AROMATIC))
                                               (N
                                                (47 :AROMATIC)
                                                (49 :AROMATIC))
                                               (C
                                                (48 :AROMATIC)
                                                (50 :AROMATIC))
                                               (N
                                                (49 :AROMATIC)
                                                (51 :AROMATIC))
                                               (C
                                                (46 :AROMATIC)
                                                (50 :AROMATIC)
                                                (52 1))
                                               (N (51 1))
                                               (C (54 1) (7 1))
                                               (S (1 1) (53 1))))
(VERY-LONG-CHAIN-FATTY-ACYL-COA "a very long chain fatty acyl-CoA" NIL ((O
                                                                         (37
                                                                          2))
                                                                        (C
                                                                         (33
                                                                          1))
                                                                        (H
                                                                         (11
                                                                          1))
                                                                        (O
                                                                         (24
                                                                          1))
                                                                        (O
                                                                         (24
                                                                          2))
                                                                        (N
                                                                         (13
                                                                          1)
                                                                         (42
                                                                          1))
                                                                        (O
                                                                         (44
                                                                          1))
                                                                        (C
                                                                         (19
                                                                          :AROMATIC)
                                                                         (48
                                                                          :AROMATIC)
                                                                         (28
                                                                          :AROMATIC))
                                                                        (C
                                                                         (33
                                                                          1)
                                                                         (13
                                                                          1)
                                                                         (52
                                                                          1))
                                                                        (O
                                                                         (18
                                                                          1)
                                                                         (46
                                                                          1))
                                                                        (C
                                                                         (3
                                                                          1)
                                                                         (20
                                                                          1)
                                                                         (44
                                                                          1)
                                                                         (46
                                                                          1))
                                                                        (O
                                                                         (43
                                                                          2))
                                                                        (C
                                                                         (6
                                                                          1)
                                                                         (9
                                                                          1)
                                                                         (30
                                                                          2))
                                                                        (O
                                                                         (49
                                                                          2))
                                                                        (N
                                                                         (28
                                                                          :AROMATIC)
                                                                         (41
                                                                          :AROMATIC))
                                                                        (S
                                                                         (38
                                                                          1)
                                                                         (49
                                                                          1))
                                                                        (H
                                                                         (46
                                                                          1))
                                                                        (C
                                                                         (10
                                                                          1)
                                                                         (32
                                                                          1)
                                                                         (44
                                                                          1)
                                                                         (51
                                                                          1))
                                                                        (N
                                                                         (8
                                                                          :AROMATIC)
                                                                         (34
                                                                          :AROMATIC))
                                                                        (O
                                                                         (11
                                                                          1)
                                                                         (24
                                                                          1))
                                                                        (C
                                                                         (42
                                                                          1)
                                                                         (43
                                                                          1))
                                                                        (O
                                                                         (31
                                                                          1)
                                                                         (37
                                                                          1))
                                                                        (O
                                                                         (37
                                                                          1)
                                                                         (45
                                                                          1))
                                                                        (P
                                                                         (4
                                                                          1)
                                                                         (5
                                                                          2)
                                                                         (20
                                                                          1)
                                                                         (39
                                                                          1))
                                                                        (O
                                                                         (45
                                                                          1))
                                                                        (N
                                                                         (43
                                                                          1)
                                                                         (55
                                                                          1))
                                                                        (O
                                                                         (37
                                                                          1))
                                                                        (C
                                                                         (15
                                                                          :AROMATIC)
                                                                         (8
                                                                          :AROMATIC)
                                                                         (32
                                                                          :AROMATIC))
                                                                        (N
                                                                         (48
                                                                          1))
                                                                        (O
                                                                         (13
                                                                          2))
                                                                        (C
                                                                         (22
                                                                          1)
                                                                         (46
                                                                          1))
                                                                        (N
                                                                         (18
                                                                          1)
                                                                         (28
                                                                          :AROMATIC)
                                                                         (34
                                                                          :AROMATIC))
                                                                        (C
                                                                         (2
                                                                          1)
                                                                         (9
                                                                          1)
                                                                         (47
                                                                          1)
                                                                         (35
                                                                          1))
                                                                        (C
                                                                         (19
                                                                          :AROMATIC)
                                                                         (32
                                                                          :AROMATIC))
                                                                        (C
                                                                         (33
                                                                          1))
                                                                        (O
                                                                         (45
                                                                          1)
                                                                         (47
                                                                          1))
                                                                        (P
                                                                         (1
                                                                          2)
                                                                         (23
                                                                          1)
                                                                         (27
                                                                          1)
                                                                         (22
                                                                          1))
                                                                        (C
                                                                         (16
                                                                          1)
                                                                         (55
                                                                          1))
                                                                        (O
                                                                         (24
                                                                          1))
                                                                        (O
                                                                         (45
                                                                          2))
                                                                        (C
                                                                         (15
                                                                          :AROMATIC)
                                                                         (53
                                                                          :AROMATIC))
                                                                        (C
                                                                         (21
                                                                          1)
                                                                         (6
                                                                          1))
                                                                        (C
                                                                         (12
                                                                          2)
                                                                         (26
                                                                          1)
                                                                         (21
                                                                          1))
                                                                        (C
                                                                         (7
                                                                          1)
                                                                         (11
                                                                          1)
                                                                         (18
                                                                          1)
                                                                         (50
                                                                          1))
                                                                        (P
                                                                         (25
                                                                          1)
                                                                         (36
                                                                          1)
                                                                         (40
                                                                          2)
                                                                         (23
                                                                          1))
                                                                        (C
                                                                         (17
                                                                          1)
                                                                         (31
                                                                          1)
                                                                         (10
                                                                          1)
                                                                         (11
                                                                          1))
                                                                        (C
                                                                         (33
                                                                          1)
                                                                         (36
                                                                          1))
                                                                        (C
                                                                         (8
                                                                          :AROMATIC)
                                                                         (29
                                                                          1)
                                                                         (53
                                                                          :AROMATIC))
                                                                        (C
                                                                         (14
                                                                          2)
                                                                         (16
                                                                          1)
                                                                         (54
                                                                          1))
                                                                        (H
                                                                         (44
                                                                          1))
                                                                        (H
                                                                         (18
                                                                          1))
                                                                        (O
                                                                         (9
                                                                          1))
                                                                        (N
                                                                         (48
                                                                          :AROMATIC)
                                                                         (41
                                                                          :AROMATIC))
                                                                        (R
                                                                         (49
                                                                          1))
                                                                        (C
                                                                         (38
                                                                          1)
                                                                         (26
                                                                          1))))
(Fatty-Acyl-CoA "a fatty acyl CoA" NIL ((O (37 2))
                                        (C (33 1))
                                        (H (11 1))
                                        (O (24 1))
                                        (O (24 2))
                                        (N (13 1) (42 1))
                                        (O (44 1))
                                        (C
                                         (19 :AROMATIC)
                                         (48 :AROMATIC)
                                         (28 :AROMATIC))
                                        (C (33 1) (13 1) (52 1))
                                        (O (18 1) (46 1))
                                        (C (3 1) (20 1) (44 1) (46 1))
                                        (O (43 2))
                                        (C (6 1) (9 1) (30 2))
                                        (O (49 2))
                                        (N
                                         (28 :AROMATIC)
                                         (41 :AROMATIC))
                                        (S (38 1) (49 1))
                                        (H (46 1))
                                        (C (10 1) (32 1) (44 1) (51 1))
                                        (N
                                         (8 :AROMATIC)
                                         (34 :AROMATIC))
                                        (O (11 1) (24 1))
                                        (C (42 1) (43 1))
                                        (O (31 1) (37 1))
                                        (O (37 1) (45 1))
                                        (P (4 1) (5 2) (20 1) (39 1))
                                        (O (45 1))
                                        (N (43 1) (55 1))
                                        (O (37 1))
                                        (C
                                         (15 :AROMATIC)
                                         (8 :AROMATIC)
                                         (32 :AROMATIC))
                                        (N (48 1))
                                        (O (13 2))
                                        (C (22 1) (46 1))
                                        (N
                                         (18 1)
                                         (28 :AROMATIC)
                                         (34 :AROMATIC))
                                        (C (2 1) (9 1) (47 1) (35 1))
                                        (C
                                         (19 :AROMATIC)
                                         (32 :AROMATIC))
                                        (C (33 1))
                                        (O (45 1) (47 1))
                                        (P (1 2) (23 1) (27 1) (22 1))
                                        (C (16 1) (55 1))
                                        (O (24 1))
                                        (O (45 2))
                                        (C
                                         (15 :AROMATIC)
                                         (53 :AROMATIC))
                                        (C (21 1) (6 1))
                                        (C (12 2) (26 1) (21 1))
                                        (C (7 1) (11 1) (18 1) (50 1))
                                        (P (25 1) (36 1) (40 2) (23 1))
                                        (C (17 1) (31 1) (10 1) (11 1))
                                        (C (33 1) (36 1))
                                        (C
                                         (8 :AROMATIC)
                                         (29 1)
                                         (53 :AROMATIC))
                                        (C (14 2) (16 1) (54 1))
                                        (H (44 1))
                                        (H (18 1))
                                        (O (9 1))
                                        (N
                                         (48 :AROMATIC)
                                         (41 :AROMATIC))
                                        (R (49 1))
                                        (C (38 1) (26 1))))
(CIS-D2-ENOYL-COA "a cis-2,3-dehydroacyl-CoA" NIL ((N
                                                    (4 :AROMATIC)
                                                    (2 :AROMATIC))
                                                   (C
                                                    (1 :AROMATIC)
                                                    (3 :AROMATIC))
                                                   (N
                                                    (2 :AROMATIC)
                                                    (6 :AROMATIC))
                                                   (C
                                                    (1 :AROMATIC)
                                                    (5 :AROMATIC)
                                                    (9 1))
                                                   (C
                                                    (4 :AROMATIC)
                                                    (6 :AROMATIC)
                                                    (8 :AROMATIC))
                                                   (C
                                                    (3 :AROMATIC)
                                                    (5 :AROMATIC)
                                                    (10 :AROMATIC))
                                                   (C
                                                    (10 :AROMATIC)
                                                    (8 :AROMATIC))
                                                   (N
                                                    (7 :AROMATIC)
                                                    (5 :AROMATIC))
                                                   (N (4 1))
                                                   (N
                                                    (7 :AROMATIC)
                                                    (6 :AROMATIC)
                                                    (13 1))
                                                   (O (16 1) (13 1))
                                                   (O (17 1) (18 1))
                                                   (C
                                                    (11 1)
                                                    (14 1)
                                                    (10 1))
                                                   (C
                                                    (15 1)
                                                    (13 1)
                                                    (43 1))
                                                   (C
                                                    (16 1)
                                                    (14 1)
                                                    (44 1))
                                                   (C
                                                    (11 1)
                                                    (15 1)
                                                    (17 1))
                                                   (C (16 1) (12 1))
                                                   (P
                                                    (12 1)
                                                    (19 1)
                                                    (20 2)
                                                    (21 1))
                                                   (O (18 1))
                                                   (O (18 2))
                                                   (O (18 1) (23 1))
                                                   (O (23 1) (26 1))
                                                   (P
                                                    (22 1)
                                                    (24 2)
                                                    (25 1)
                                                    (21 1))
                                                   (O (23 2))
                                                   (O (23 1))
                                                   (C (22 1) (27 1))
                                                   (C
                                                    (26 1)
                                                    (28 1)
                                                    (29 1)
                                                    (30 1))
                                                   (C
                                                    (27 1)
                                                    (31 1)
                                                    (32 1))
                                                   (C (27 1))
                                                   (C (27 1))
                                                   (C
                                                    (28 1)
                                                    (33 2)
                                                    (34 1))
                                                   (O (28 1))
                                                   (O (31 2))
                                                   (N (31 1) (35 1))
                                                   (C (34 1) (36 1))
                                                   (C (35 1) (37 1))
                                                   (C
                                                    (36 1)
                                                    (38 1)
                                                    (39 2))
                                                   (N (37 1) (40 1))
                                                   (O (37 2))
                                                   (C (38 1) (41 1))
                                                   (C (40 1) (42 1))
                                                   (S (41 1) (49 1))
                                                   (O (14 1))
                                                   (O (15 1) (46 1))
                                                   (O (46 1))
                                                   (P
                                                    (45 1)
                                                    (47 1)
                                                    (48 2)
                                                    (44 1))
                                                   (O (46 1))
                                                   (O (46 2))
                                                   (C
                                                    (42 1)
                                                    (50 1)
                                                    (51 2))
                                                   (C (49 1) (52 2))
                                                   (O (49 2))
                                                   (C (50 2) (53 1))
                                                   (R (52 1))))
(TRANS-D2-ENOYL-COA "a trans-2-enoyl-CoA" NIL ((N
                                                (46 :AROMATIC)
                                                (45 1)
                                                (22 :AROMATIC))
                                               (O (7 1))
                                               (S (40 1) (53 1))
                                               (O (7 2))
                                               (C (8 2) (15 1) (48 1))
                                               (O (40 2))
                                               (P
                                                (2 1)
                                                (4 2)
                                                (12 1)
                                                (47 1))
                                               (O (5 2))
                                               (N
                                                (30 :AROMATIC)
                                                (16 :AROMATIC))
                                               (N (30 1))
                                               (N
                                                (16 :AROMATIC)
                                                (22 :AROMATIC))
                                               (O (7 1))
                                               (O (18 2))
                                               (C (48 1) (53 1))
                                               (C (5 1) (34 1))
                                               (C
                                                (11 :AROMATIC)
                                                (9 :AROMATIC))
                                               (O (45 1) (24 1))
                                               (P
                                                (13 2)
                                                (19 1)
                                                (54 1)
                                                (56 1))
                                               (O (18 1))
                                               (C (24 1) (56 1))
                                               (H (36 1))
                                               (C
                                                (1 :AROMATIC)
                                                (11 :AROMATIC)
                                                (41 :AROMATIC))
                                               (R (55 1))
                                               (C
                                                (17 1)
                                                (20 1)
                                                (25 1)
                                                (32 1))
                                               (C
                                                (24 1)
                                                (36 1)
                                                (47 1)
                                                (50 1))
                                               (C (40 1) (55 2))
                                               (N (51 1) (34 1))
                                               (N
                                                (41 :AROMATIC)
                                                (46 :AROMATIC))
                                               (O (35 1) (52 1))
                                               (C
                                                (9 :AROMATIC)
                                                (10 1)
                                                (41 :AROMATIC))
                                               (C (57 1) (43 1) (51 1))
                                               (H (24 1))
                                               (O (35 2))
                                               (C (27 1) (15 1))
                                               (P
                                                (29 1)
                                                (33 2)
                                                (39 1)
                                                (54 1))
                                               (C
                                                (21 1)
                                                (25 1)
                                                (45 1)
                                                (49 1))
                                               (C (57 1))
                                               (H (45 1))
                                               (O (35 1))
                                               (C (3 1) (6 2) (26 1))
                                               (C
                                                (28 :AROMATIC)
                                                (30 :AROMATIC)
                                                (22 :AROMATIC))
                                               (O (51 2))
                                               (O (31 1))
                                               (C (57 1))
                                               (C
                                                (1 1)
                                                (17 1)
                                                (36 1)
                                                (38 1))
                                               (C
                                                (1 :AROMATIC)
                                                (28 :AROMATIC))
                                               (O (7 1) (25 1))
                                               (N (14 1) (5 1))
                                               (O (36 1))
                                               (H (25 1))
                                               (C (27 1) (42 2) (31 1))
                                               (C (57 1) (29 1))
                                               (C (14 1) (3 1))
                                               (O (18 1) (35 1))
                                               (C (26 2) (23 1))
                                               (O (20 1) (18 1))
                                               (C
                                                (31 1)
                                                (37 1)
                                                (44 1)
                                                (52 1))))
(5,10-Methenyl-THF-Glu-n "a 5,10-methenyltetrahydrofolate" NIL ((H
                                                                 (32
                                                                  1))
                                                                (N
                                                                 (23
                                                                  1))
                                                                (O
                                                                 (20
                                                                  2))
                                                                (O
                                                                 (21
                                                                  2))
                                                                (O
                                                                 (22
                                                                  2))
                                                                (O
                                                                 (28
                                                                  2))
                                                                (O
                                                                 (21
                                                                  1))
                                                                (C
                                                                 (31 1)
                                                                 (33
                                                                  2))
                                                                (C
                                                                 (11 1)
                                                                 (24
                                                                  2))
                                                                (C
                                                                 (12 2)
                                                                 (24
                                                                  1))
                                                                (C
                                                                 (9 1)
                                                                 (25
                                                                  2))
                                                                (C
                                                                 (10 2)
                                                                 (25
                                                                  1))
                                                                (C
                                                                 (14 1)
                                                                 (20
                                                                  1))
                                                                (C
                                                                 (13 1)
                                                                 (29
                                                                  1))
                                                                (C
                                                                 (18 1)
                                                                 (30
                                                                  1))
                                                                (C
                                                                 (30 1)
                                                                 (31
                                                                  1))
                                                                (N
                                                                 (23 1)
                                                                 (26
                                                                  1))
                                                                (N
                                                                 (15 1)
                                                                 (26
                                                                  1))
                                                                (N
                                                                 (22 1)
                                                                 (29
                                                                  1))
                                                                (C
                                                                 (3 2)
                                                                 (34 1)
                                                                 (13
                                                                  1))
                                                                (C
                                                                 (4 2)
                                                                 (7 1)
                                                                 (29
                                                                  1))
                                                                (C
                                                                 (5 2)
                                                                 (19 1)
                                                                 (24
                                                                  1))
                                                                (C
                                                                 (2 1)
                                                                 (17 1)
                                                                 (32
                                                                  2))
                                                                (C
                                                                 (9 2)
                                                                 (10 1)
                                                                 (22
                                                                  1))
                                                                (C
                                                                 (11 2)
                                                                 (12 1)
                                                                 (31
                                                                  1))
                                                                (C
                                                                 (17 1)
                                                                 (18 1)
                                                                 (27
                                                                  2))
                                                                (C
                                                                 (26 2)
                                                                 (28 1)
                                                                 (33
                                                                  1))
                                                                (C
                                                                 (6 2)
                                                                 (27 1)
                                                                 (32
                                                                  1))
                                                                (C
                                                                 (14 1)
                                                                 (19 1)
                                                                 (21
                                                                  1))
                                                                (C
                                                                 (15 1)
                                                                 (16 1)
                                                                 (33
                                                                  1))
                                                                (N
                                                                 (8 1)
                                                                 (16 1)
                                                                 (25
                                                                  1))
                                                                (N
                                                                 (1 1)
                                                                 (23 2)
                                                                 (28
                                                                  1))
                                                                (N
                                                                 (+ 1)
                                                                 (8 2)
                                                                 (27 1)
                                                                 (30
                                                                  1))
                                                                (R1
                                                                 (20
                                                                  1))))
(5-METHYL-THF-GLU-N "an N5-methyl-tetrahydrofolate" NIL ((H (17 1))
                                                         (C (16 1))
                                                         (N (11 1))
                                                         (O (14 2))
                                                         (R (9 1))
                                                         (C
                                                          (9 1)
                                                          (15 1))
                                                         (C
                                                          (10 1)
                                                          (15 1))
                                                         (N
                                                          (11
                                                           :AROMATIC)
                                                          (12
                                                           :AROMATIC))
                                                         (N
                                                          (5 1)
                                                          (6 1))
                                                         (N
                                                          (7 1)
                                                          (12 1))
                                                         (C
                                                          (3 1)
                                                          (8 :AROMATIC)
                                                          (17
                                                           :AROMATIC))
                                                         (C
                                                          (8 :AROMATIC)
                                                          (10 1)
                                                          (13
                                                           :AROMATIC))
                                                         (C
                                                          (12
                                                           :AROMATIC)
                                                          (14
                                                           :AROMATIC)
                                                          (16 1))
                                                         (C
                                                          (4 2)
                                                          (13
                                                           :AROMATIC)
                                                          (17
                                                           :AROMATIC))
                                                         (C
                                                          (6 1)
                                                          (7 1)
                                                          (16 1))
                                                         (N
                                                          (2 1)
                                                          (13 1)
                                                          (15 1))
                                                         (N
                                                          (1 1)
                                                          (11
                                                           :AROMATIC)
                                                          (14
                                                           :AROMATIC))))
(FORMYL-THF-GLU-N "an N10-formyl-tetrahydrofolate" NIL ((H (33 1))
                                                        (N (24 1))
                                                        (O (8 2))
                                                        (O (21 2))
                                                        (O (22 2))
                                                        (O (23 2))
                                                        (O (29 2))
                                                        (C
                                                         (32 1)
                                                         (3 2))
                                                        (C
                                                         (25 :AROMATIC)
                                                         (11
                                                          :AROMATIC))
                                                        (C
                                                         (25 :AROMATIC)
                                                         (12
                                                          :AROMATIC))
                                                        (C
                                                         (26 :AROMATIC)
                                                         (9 :AROMATIC))
                                                        (C
                                                         (26 :AROMATIC)
                                                         (10
                                                          :AROMATIC))
                                                        (C
                                                         (21 1)
                                                         (14 1))
                                                        (C
                                                         (31 1)
                                                         (13 1))
                                                        (C
                                                         (30 1)
                                                         (18 1))
                                                        (C
                                                         (32 1)
                                                         (30 1))
                                                        (N
                                                         (27 1)
                                                         (24 1))
                                                        (N
                                                         (27 1)
                                                         (15 1))
                                                        (N
                                                         (31 1)
                                                         (23 1))
                                                        (N
                                                         (30 1)
                                                         (28 1))
                                                        (C
                                                         (13 1)
                                                         (35 1)
                                                         (4 2))
                                                        (C
                                                         (31 1)
                                                         (34 1)
                                                         (5 2))
                                                        (C
                                                         (25 1)
                                                         (19 1)
                                                         (6 2))
                                                        (C
                                                         (33 2)
                                                         (17 1)
                                                         (2 1))
                                                        (C
                                                         (23 1)
                                                         (10 :AROMATIC)
                                                         (9 :AROMATIC))
                                                        (C
                                                         (32 1)
                                                         (12 :AROMATIC)
                                                         (11
                                                          :AROMATIC))
                                                        (C
                                                         (28 2)
                                                         (18 1)
                                                         (17 1))
                                                        (C
                                                         (29 1)
                                                         (27 2)
                                                         (20 1))
                                                        (C
                                                         (33 1)
                                                         (28 1)
                                                         (7 2))
                                                        (C
                                                         (20 1)
                                                         (16 1)
                                                         (15 1))
                                                        (C
                                                         (22 1)
                                                         (19 1)
                                                         (14 1))
                                                        (N
                                                         (26 1)
                                                         (16 1)
                                                         (8 1))
                                                        (N
                                                         (29 1)
                                                         (24 2)
                                                         (1 1))
                                                        (O (22 1))
                                                        (R1 (21 1))))
(METHYLENE-THF-GLU-N "a 5,10-methylene-tetrahydrofolate" NIL ((C
                                                               (17 1)
                                                               (7 1)
                                                               (13 1)
                                                               (12 1))
                                                              (O
                                                               (10 2))
                                                              (C
                                                               (33 1)
                                                               (20 2)
                                                               (17 1))
                                                              (C
                                                               (14 2)
                                                               (26 1))
                                                              (C
                                                               (27 1)
                                                               (9 2)
                                                               (31 1))
                                                              (H (7 1))
                                                              (C
                                                               (35 1)
                                                               (22 1)
                                                               (1 1)
                                                               (6 1))
                                                              (C
                                                               (34 1)
                                                               (31 2))
                                                              (O (5 2))
                                                              (C
                                                               (19 1)
                                                               (28 1)
                                                               (2 2))
                                                              (N
                                                               (36 2)
                                                               (29 1)
                                                               (33 1))
                                                              (C
                                                               (23 1)
                                                               (1 1))
                                                              (H (1 1))
                                                              (C
                                                               (31 1)
                                                               (4 2))
                                                              (C
                                                               (30 1)
                                                               (37 2)
                                                               (25 1))
                                                              (O
                                                               (33 2))
                                                              (N
                                                               (18 1)
                                                               (1 1)
                                                               (3 1))
                                                              (C
                                                               (23 1)
                                                               (17 1))
                                                              (O
                                                               (10 1))
                                                              (C
                                                               (22 1)
                                                               (32 1)
                                                               (3 2))
                                                              (N
                                                               (36 1))
                                                              (N
                                                               (20 1)
                                                               (7 1))
                                                              (N
                                                               (26 1)
                                                               (18 1)
                                                               (12 1))
                                                              (C
                                                               (30 1)
                                                               (28 1))
                                                              (O
                                                               (15 1))
                                                              (C
                                                               (34 2)
                                                               (23 1)
                                                               (4 1))
                                                              (N
                                                               (5 1)
                                                               (28 1))
                                                              (C
                                                               (24 1)
                                                               (27 1)
                                                               (10 1))
                                                              (H
                                                               (11 1))
                                                              (C
                                                               (24 1)
                                                               (15 1))
                                                              (C
                                                               (14 1)
                                                               (8 2)
                                                               (5 1))
                                                              (N
                                                               (36 1)
                                                               (20 1))
                                                              (C
                                                               (3 1)
                                                               (16 2)
                                                               (11 1))
                                                              (C
                                                               (8 1)
                                                               (26 2))
                                                              (H (7 1))
                                                              (C
                                                               (11 2)
                                                               (32 1)
                                                               (21 1))
                                                              (R1
                                                               (15 2))))
(THF-GLU-N "a tetrahydrofolate polyglutamate" NIL ((H (31 1))
                                                   (H (32 1))
                                                   (H (33 1))
                                                   (N (24 1))
                                                   (O (21 2))
                                                   (O (22 2))
                                                   (O (23 2))
                                                   (O (29 2))
                                                   (C (11 2) (25 1))
                                                   (C (12 1) (25 2))
                                                   (C (9 2) (26 1))
                                                   (C (10 1) (26 2))
                                                   (C (14 1) (21 1))
                                                   (C (13 1) (30 1))
                                                   (C (18 1) (33 1))
                                                   (C (31 1) (33 1))
                                                   (N (24 1) (27 1))
                                                   (N (15 1) (27 1))
                                                   (N (23 1) (30 1))
                                                   (N (28 1) (33 1))
                                                   (C
                                                    (5 2)
                                                    (35 1)
                                                    (13 1))
                                                   (C
                                                    (6 2)
                                                    (34 1)
                                                    (30 1))
                                                   (C
                                                    (7 2)
                                                    (19 1)
                                                    (25 1))
                                                   (C
                                                    (4 1)
                                                    (17 1)
                                                    (32 2))
                                                   (C
                                                    (9 1)
                                                    (10 2)
                                                    (23 1))
                                                   (C
                                                    (11 1)
                                                    (12 2)
                                                    (31 1))
                                                   (C
                                                    (17 1)
                                                    (18 1)
                                                    (28 2))
                                                   (C
                                                    (20 1)
                                                    (27 2)
                                                    (29 1))
                                                   (C
                                                    (8 2)
                                                    (28 1)
                                                    (32 1))
                                                   (C
                                                    (14 1)
                                                    (19 1)
                                                    (22 1))
                                                   (N
                                                    (1 1)
                                                    (16 1)
                                                    (26 1))
                                                   (N
                                                    (2 1)
                                                    (24 2)
                                                    (29 1))
                                                   (C
                                                    (3 1)
                                                    (15 1)
                                                    (16 1)
                                                    (20 1))
                                                   (O (22 1))
                                                   (R1 (21 1))))
(N5-Formyl-THF-Glu "N5-formyl-THF-Glun" NIL ((O (17 2))
                                             (N (6 1) (19 1) (8 1))
                                             (C
                                              (6 :AROMATIC)
                                              (4 1)
                                              (18 :AROMATIC))
                                             (N (3 1) (5 1))
                                             (C (4 1) (19 1))
                                             (C
                                              (2 1)
                                              (3 :AROMATIC)
                                              (17 :AROMATIC))
                                             (C (13 1) (19 1))
                                             (C (2 1) (9 2))
                                             (O (8 2))
                                             (H (19 1))
                                             (H (16 1))
                                             (C
                                              (18 :AROMATIC)
                                              (14 1)
                                              (16 :AROMATIC))
                                             (N (7 1) (15 1))
                                             (N (12 1))
                                             (R (13 1))
                                             (N
                                              (+ 1)
                                              (12 :AROMATIC)
                                              (11 1)
                                              (17 :AROMATIC))
                                             (C
                                              (6 :AROMATIC)
                                              (16 :AROMATIC)
                                              (1 2))
                                             (N
                                              (12 :AROMATIC)
                                              (3 :AROMATIC))
                                             (C
                                              (2 1)
                                              (5 1)
                                              (7 1)
                                              (10 1))))
(Reduced-Factor-F420 "reduced cofactor F420 " NIL ((C (3 2) (2 1))
                                                   (C
                                                    (1 1)
                                                    (14 2)
                                                    (30 1))
                                                   (C (1 2) (7 1))
                                                   (C
                                                    (7 2)
                                                    (5 1)
                                                    (14 1))
                                                   (N
                                                    (4 1)
                                                    (8 1)
                                                    (32 1))
                                                   (C (13 1) (7 1))
                                                   (C
                                                    (3 1)
                                                    (4 2)
                                                    (6 1))
                                                   (C
                                                    (5 1)
                                                    (13 2)
                                                    (9 1))
                                                   (N (8 1) (10 1))
                                                   (C
                                                    (9 1)
                                                    (11 1)
                                                    (16 2))
                                                   (N (10 1) (12 1))
                                                   (C
                                                    (11 1)
                                                    (13 1)
                                                    (15 2))
                                                   (C
                                                    (6 1)
                                                    (8 2)
                                                    (12 1))
                                                   (C (2 2) (4 1))
                                                   (O (12 2))
                                                   (O (10 2))
                                                   (C
                                                    (18 1)
                                                    (21 1)
                                                    (32 1))
                                                   (C
                                                    (17 1)
                                                    (19 1)
                                                    (22 1))
                                                   (C
                                                    (18 1)
                                                    (20 1)
                                                    (23 1))
                                                   (C (19 1) (24 1))
                                                   (O (17 1))
                                                   (O (18 1))
                                                   (O (19 1))
                                                   (O (20 1) (25 1))
                                                   (P
                                                    (24 1)
                                                    (26 1)
                                                    (27 2)
                                                    (28 1))
                                                   (O (25 1) (33 1))
                                                   (O (25 2))
                                                   (O (25 1))
                                                   (O (35 2))
                                                   (O (2 1))
                                                   (C (33 1))
                                                   (C (5 1) (17 1))
                                                   (C
                                                    (34 1)
                                                    (26 1)
                                                    (35 1)
                                                    (31 1))
                                                   (H (33 1))
                                                   (C
                                                    (36 1)
                                                    (33 1)
                                                    (29 2))
                                                   (R1 (35 1))))
(Formyl-methanofurans "formyl-methanofuran" NIL ((O (4 1) (3 1))
                                                 (C (4 2) (6 1))
                                                 (C (1 1) (6 2))
                                                 (C (5 1) (1 1) (2 2))
                                                 (C (37 1) (4 1))
                                                 (C (7 1) (3 2) (2 1))
                                                 (C (8 1) (6 1))
                                                 (O (7 1) (9 1))
                                                 (C
                                                  (8 1)
                                                  (10 2)
                                                  (13 1))
                                                 (C (9 2) (11 1))
                                                 (C (10 1) (14 2))
                                                 (C (14 1) (13 2))
                                                 (C (9 1) (12 2))
                                                 (C
                                                  (15 1)
                                                  (11 2)
                                                  (12 1))
                                                 (C (16 1) (14 1))
                                                 (C (18 1) (15 1))
                                                 (C (21 1) (19 1))
                                                 (N (19 1) (16 1))
                                                 (C
                                                  (20 2)
                                                  (17 1)
                                                  (18 1))
                                                 (O (19 2))
                                                 (C (36 1) (17 1))
                                                 (C
                                                  (36 1)
                                                  (23 2)
                                                  (24 1))
                                                 (O (22 2))
                                                 (O (22 1))
                                                 (N (27 1) (36 1))
                                                 (O (27 2))
                                                 (C
                                                  (28 1)
                                                  (26 2)
                                                  (25 1))
                                                 (C (29 1) (27 1))
                                                 (C (35 1) (28 1))
                                                 (C
                                                  (31 2)
                                                  (32 1)
                                                  (35 1))
                                                 (O (30 2))
                                                 (O (30 1))
                                                 (N (35 1) (34 1))
                                                 (R1 (33 1))
                                                 (C
                                                  (30 1)
                                                  (33 1)
                                                  (29 1))
                                                 (C
                                                  (25 1)
                                                  (21 1)
                                                  (22 1))
                                                 (N (39 1) (5 1))
                                                 (O (39 2))
                                                 (C
                                                  (40 1)
                                                  (38 2)
                                                  (37 1))
                                                 (H (39 1))))
(A-GLUCOSYLOXYANTHRAQUINONE "a glucosyloxyanthraquinone" NIL ((C
                                                               (2
                                                                :AROMATIC)
                                                               (3
                                                                :AROMATIC)
                                                               (4 1))
                                                              (C
                                                               (1
                                                                :AROMATIC)
                                                               (5 1)
                                                               (6
                                                                :AROMATIC))
                                                              (C
                                                               (1
                                                                :AROMATIC)
                                                               (7 1)
                                                               (8
                                                                :AROMATIC))
                                                              (C
                                                               (1 1)
                                                               (9 1)
                                                               (10 2))
                                                              (C
                                                               (2 1)
                                                               (11 1)
                                                               (12 2))
                                                              (C
                                                               (2
                                                                :AROMATIC)
                                                               (13
                                                                :AROMATIC))
                                                              (O
                                                               (3 1)
                                                               (14 1))
                                                              (C
                                                               (3
                                                                :AROMATIC)
                                                               (13
                                                                :AROMATIC))
                                                              (C
                                                               (4 1)
                                                               (15
                                                                :AROMATIC)
                                                               (11
                                                                :AROMATIC))
                                                              (O (4 2))
                                                              (C
                                                               (5 1)
                                                               (16
                                                                :AROMATIC)
                                                               (9
                                                                :AROMATIC))
                                                              (O (5 2))
                                                              (C
                                                               (6
                                                                :AROMATIC)
                                                               (8
                                                                :AROMATIC))
                                                              (C
                                                               (7 1)
                                                               (17 1)
                                                               (18 1))
                                                              (C
                                                               (9
                                                                :AROMATIC)
                                                               (19
                                                                :AROMATIC))
                                                              (C
                                                               (11
                                                                :AROMATIC)
                                                               (20
                                                                :AROMATIC))
                                                              (O
                                                               (14 1)
                                                               (21 1))
                                                              (C
                                                               (14 1)
                                                               (22 1)
                                                               (23 1))
                                                              (C
                                                               (15
                                                                :AROMATIC)
                                                               (20
                                                                :AROMATIC))
                                                              (C
                                                               (16
                                                                :AROMATIC)
                                                               (19
                                                                :AROMATIC))
                                                              (C
                                                               (17 1)
                                                               (24 1)
                                                               (25 1))
                                                              (C
                                                               (18 1)
                                                               (26 1)
                                                               (24 1))
                                                              (O
                                                               (18 1))
                                                              (C
                                                               (21 1)
                                                               (27 1)
                                                               (22 1))
                                                              (C
                                                               (21 1)
                                                               (28 1))
                                                              (O
                                                               (22 1))
                                                              (O
                                                               (24 1))
                                                              (O
                                                               (25 1))))
(PLASTOQUINONE "a plastoquinone" NIL ((C (42 1))
                                      (C (42 1))
                                      (C (43 1))
                                      (C (44 1))
                                      (C (45 1))
                                      (C (46 1))
                                      (C (47 1))
                                      (C (48 1))
                                      (C (49 1))
                                      (C (50 1))
                                      (C (51 1))
                                      (C (52 1))
                                      (O (54 2))
                                      (O (55 2))
                                      (C (25 1) (42 2))
                                      (C (26 1) (43 2))
                                      (C (27 1) (44 2))
                                      (C (28 1) (45 2))
                                      (C (29 1) (46 2))
                                      (C (30 1) (47 2))
                                      (C (31 1) (48 2))
                                      (C (32 1) (49 2))
                                      (C (33 1) (50 2))
                                      (C (53 2) (54 1))
                                      (C (15 1) (34 1))
                                      (C (16 1) (35 1))
                                      (C (17 1) (36 1))
                                      (C (18 1) (37 1))
                                      (C (19 1) (38 1))
                                      (C (20 1) (39 1))
                                      (C (21 1) (40 1))
                                      (C (22 1) (41 1))
                                      (C (23 1) (53 1))
                                      (C (25 1) (43 1))
                                      (C (26 1) (44 1))
                                      (C (27 1) (45 1))
                                      (C (28 1) (46 1))
                                      (C (29 1) (47 1))
                                      (C (30 1) (48 1))
                                      (C (31 1) (49 1))
                                      (C (32 1) (50 1))
                                      (C (1 1) (2 1) (15 2))
                                      (C (3 1) (16 2) (34 1))
                                      (C (4 1) (17 2) (35 1))
                                      (C (5 1) (18 2) (36 1))
                                      (C (6 1) (19 2) (37 1))
                                      (C (7 1) (20 2) (38 1))
                                      (C (8 1) (21 2) (39 1))
                                      (C (9 1) (22 2) (40 1))
                                      (C (10 1) (23 2) (41 1))
                                      (C (11 1) (52 2) (54 1))
                                      (C (12 1) (51 2) (55 1))
                                      (C (24 2) (33 1) (55 1))
                                      (C (13 2) (24 1) (51 1))
                                      (C (14 2) (52 1) (53 1))))
(Ubiquinols "a ubiquinol" NIL ((O (9 1)) (O (18 1)) (C (11 1))
                               (C (15 1)) (C (10 1) (19 1))
                               (C (15 2) (16 1) (9 1)) (C (10 1))
                               (C (17 1) (12 1) (18 2))
                               (C (1 1) (12 2) (6 1))
                               (C (13 2) (5 1) (7 1)) (O (12 1) (3 1))
                               (C (11 1) (9 2) (8 1)) (C (16 1) (10 2))
                               (C (17 1)) (C (18 1) (4 1) (6 2))
                               (C (13 1) (6 1)) (O (14 1) (8 1))
                               (C (2 1) (15 1) (8 2)) (R1 (5 1))))
(Acetic-Esters "an acetic ester" NIL ((C (5 1))
                                      (O (5 2))
                                      (R (4 1))
                                      (O (3 1) (5 1))
                                      (C (1 1) (2 2) (4 1))))
(Long-Chain-Acyl-Ethyl-Esters "a long-chain-fatty-acyl ethyl ester" NIL ((C
                                                                          (4
                                                                           1))
                                                                         (O
                                                                          (7
                                                                           2))
                                                                         (R
                                                                          (5
                                                                           1))
                                                                         (C
                                                                          (1
                                                                           1)
                                                                          (6
                                                                           1))
                                                                         (C
                                                                          (3
                                                                           1)
                                                                          (7
                                                                           1))
                                                                         (O
                                                                          (4
                                                                           1)
                                                                          (7
                                                                           1))
                                                                         (C
                                                                          (2
                                                                           2)
                                                                          (5
                                                                           1)
                                                                          (6
                                                                           1))))
(PHB "polyhydroxybutyrate" NIL ((C (6 1))
                                (O (4 2))
                                (O (6 1))
                                (C (5 1) (2 2))
                                (C (6 1) (4 1))
                                (C (5 1) (3 1) (1 1))))
(Steryl-Esters "a steryl-ester" NIL ((C (23 1))
                                     (C (24 1))
                                     (O (16 2))
                                     (R (16 1))
                                     (R (18 1))
                                     (C (10 1) (18 1))
                                     (C (12 1) (17 1))
                                     (C (9 1) (19 1))
                                     (C (8 1) (20 1))
                                     (C (6 1) (21 1))
                                     (C (13 1) (22 1))
                                     (C (7 1) (24 1))
                                     (C (11 1) (23 1))
                                     (C (17 1) (19 1))
                                     (O (16 1) (17 1))
                                     (C (3 2) (4 1) (15 1))
                                     (C (7 1) (14 1) (15 1))
                                     (C (5 1) (6 1) (23 1))
                                     (C (8 1) (14 1) (24 1))
                                     (C (9 1) (21 1) (22 1))
                                     (C (10 1) (20 1) (23 1))
                                     (C (11 1) (20 1) (24 1))
                                     (C (1 1) (13 1) (18 1) (21 1))
                                     (C (2 1) (12 1) (19 1) (22 1))))
(Wax-Esters "a wax ester" NIL ((O (6 2)) (R (4 1)) (R (6 1))
                               (C (2 1) (5 1)) (O (4 1) (6 1))
                               (C (1 2) (3 1) (5 1))))
(Triacylglycerols "a triacylglycerol" NIL ((O (8 2))
                                           (O (9 2))
                                           ((? R1 :carbon) (8 1))
                                           (C (11 1) (10 1))
                                           (C (6 1) (10 1))
                                           (O (5 1) (8 1))
                                           (O (9 1) (10 1))
                                           (C (1 2) (3 1) (6 1))
                                           (C (2 2) (14 1) (7 1))
                                           (C (4 1) (5 1) (7 1))
                                           (O (4 1) (12 1))
                                           (C (11 1) (15 1) (13 2))
                                           (O (12 2))
                                           (R2 (9 1))
                                           (R3 (12 1))))
(1-Alkyl-2-acetyl-sn-glycero-3-phosphates "a 1-alkyl-2-acetyl-sn-glycero-3-phosphate" NIL ((C
                                                                                            (2
                                                                                             1)
                                                                                            (6
                                                                                             1))
                                                                                           (C
                                                                                            (7
                                                                                             1)
                                                                                            (3
                                                                                             1)
                                                                                            (1
                                                                                             1))
                                                                                           (C
                                                                                            (9
                                                                                             1)
                                                                                            (2
                                                                                             1))
                                                                                           (C
                                                                                            (8
                                                                                             2)
                                                                                            (5
                                                                                             1)
                                                                                            (7
                                                                                             1))
                                                                                           (C
                                                                                            (4
                                                                                             1))
                                                                                           (O
                                                                                            (14
                                                                                             1)
                                                                                            (1
                                                                                             1))
                                                                                           (O
                                                                                            (4
                                                                                             1)
                                                                                            (2
                                                                                             1))
                                                                                           (O
                                                                                            (4
                                                                                             2))
                                                                                           (O
                                                                                            (13
                                                                                             1)
                                                                                            (3
                                                                                             1))
                                                                                           (O
                                                                                            (13
                                                                                             2))
                                                                                           (O
                                                                                            (13
                                                                                             1))
                                                                                           (O
                                                                                            (13
                                                                                             1))
                                                                                           (P
                                                                                            (9
                                                                                             1)
                                                                                            (10
                                                                                             2)
                                                                                            (12
                                                                                             1)
                                                                                            (11
                                                                                             1))
                                                                                           (R1
                                                                                            (6
                                                                                             1))))
(1-Alkyl-2-acetyl-sn-glycerols "a 1-alkyl-2-acetyl-sn-glycerol" NIL ((C
                                                                      (9
                                                                       1))
                                                                     (O
                                                                      (9
                                                                       2))
                                                                     (O
                                                                      (5
                                                                       1))
                                                                     (R1
                                                                      (7
                                                                       1))
                                                                     (C
                                                                      (10
                                                                       1)
                                                                      (3
                                                                       1))
                                                                     (C
                                                                      (10
                                                                       1)
                                                                      (7
                                                                       1))
                                                                     (O
                                                                      (6
                                                                       1)
                                                                      (4
                                                                       1))
                                                                     (O
                                                                      (10
                                                                       1)
                                                                      (9
                                                                       1))
                                                                     (C
                                                                      (8
                                                                       1)
                                                                      (2
                                                                       2)
                                                                      (1
                                                                       1))
                                                                     (C
                                                                      (8
                                                                       1)
                                                                      (6
                                                                       1)
                                                                      (5
                                                                       1))))
(DIACYLGLYCEROL "a 1,2-diacylglycerol" NIL ((O (10 2))
                                            (O (11 2))
                                            (O (6 1))
                                            (R1 (10 1))
                                            (R2 (11 1))
                                            (C (3 1) (12 1))
                                            (C (8 1) (12 1))
                                            (O (7 1) (10 1))
                                            (O (11 1) (12 1))
                                            (C (1 2) (4 1) (8 1))
                                            (C (2 2) (5 1) (9 1))
                                            (C (6 1) (7 1) (9 1))))
(D-Galactosyl-12-diacyl-glycerols "a monogalactosyldiacylgycerol" NIL ((O
                                                                        (15
                                                                         2))
                                                                       (O
                                                                        (16
                                                                         2))
                                                                       (O
                                                                        (8
                                                                         1))
                                                                       (O
                                                                        (18
                                                                         1))
                                                                       (O
                                                                        (19
                                                                         1))
                                                                       (O
                                                                        (20
                                                                         1))
                                                                       (R1
                                                                        (15
                                                                         1))
                                                                       (C
                                                                        (3
                                                                         1)
                                                                        (21
                                                                         1))
                                                                       (C
                                                                        (11
                                                                         1)
                                                                        (17
                                                                         1))
                                                                       (C
                                                                        (12
                                                                         1)
                                                                        (17
                                                                         1))
                                                                       (O
                                                                        (9
                                                                         1)
                                                                        (15
                                                                         1))
                                                                       (O
                                                                        (10
                                                                         1)
                                                                        (22
                                                                         1))
                                                                       (O
                                                                        (16
                                                                         1)
                                                                        (17
                                                                         1))
                                                                       (O
                                                                        (21
                                                                         1)
                                                                        (22
                                                                         1))
                                                                       (C
                                                                        (1
                                                                         2)
                                                                        (7
                                                                         1)
                                                                        (11
                                                                         1))
                                                                       (C
                                                                        (2
                                                                         2)
                                                                        (23
                                                                         1)
                                                                        (13
                                                                         1))
                                                                       (C
                                                                        (9
                                                                         1)
                                                                        (10
                                                                         1)
                                                                        (13
                                                                         1))
                                                                       (C
                                                                        (4
                                                                         1)
                                                                        (19
                                                                         1)
                                                                        (20
                                                                         1))
                                                                       (C
                                                                        (5
                                                                         1)
                                                                        (18
                                                                         1)
                                                                        (21
                                                                         1))
                                                                       (C
                                                                        (6
                                                                         1)
                                                                        (18
                                                                         1)
                                                                        (22
                                                                         1))
                                                                       (C
                                                                        (8
                                                                         1)
                                                                        (14
                                                                         1)
                                                                        (19
                                                                         1))
                                                                       (C
                                                                        (12
                                                                         1)
                                                                        (14
                                                                         1)
                                                                        (20
                                                                         1))
                                                                       (R2
                                                                        (16
                                                                         1))))
(Galactosyl-galactosyl-diacyl-glycerols "a digalactosyldiacylglycerol" NIL ((O
                                                                             (21
                                                                              2))
                                                                            (O
                                                                             (22
                                                                              2))
                                                                            (O
                                                                             (11
                                                                              1))
                                                                            (O
                                                                             (12
                                                                              1))
                                                                            (O
                                                                             (24
                                                                              1))
                                                                            (O
                                                                             (25
                                                                              1))
                                                                            (O
                                                                             (26
                                                                              1))
                                                                            (O
                                                                             (27
                                                                              1))
                                                                            (O
                                                                             (28
                                                                              1))
                                                                            (R1
                                                                             (22
                                                                              1))
                                                                            (C
                                                                             (3
                                                                              1)
                                                                             (29
                                                                              1))
                                                                            (C
                                                                             (4
                                                                              1)
                                                                             (30
                                                                              1))
                                                                            (C
                                                                             (15
                                                                              1)
                                                                             (23
                                                                              1))
                                                                            (C
                                                                             (16
                                                                              1)
                                                                             (23
                                                                              1))
                                                                            (O
                                                                             (13
                                                                              1)
                                                                             (21
                                                                              1))
                                                                            (O
                                                                             (14
                                                                              1)
                                                                             (22
                                                                              1))
                                                                            (O
                                                                             (23
                                                                              1)
                                                                             (31
                                                                              1))
                                                                            (O
                                                                             (29
                                                                              1)
                                                                             (32
                                                                              1))
                                                                            (O
                                                                             (30
                                                                              1)
                                                                             (31
                                                                              1))
                                                                            (O
                                                                             (32
                                                                              1)
                                                                             (33
                                                                              1))
                                                                            (C
                                                                             (1
                                                                              2)
                                                                             (34
                                                                              1)
                                                                             (15
                                                                              1))
                                                                            (C
                                                                             (2
                                                                              2)
                                                                             (10
                                                                              1)
                                                                             (16
                                                                              1))
                                                                            (C
                                                                             (13
                                                                              1)
                                                                             (14
                                                                              1)
                                                                             (17
                                                                              1))
                                                                            (C
                                                                             (5
                                                                              1)
                                                                             (25
                                                                              1)
                                                                             (26
                                                                              1))
                                                                            (C
                                                                             (6
                                                                              1)
                                                                             (24
                                                                              1)
                                                                             (29
                                                                              1))
                                                                            (C
                                                                             (7
                                                                              1)
                                                                             (24
                                                                              1)
                                                                             (32
                                                                              1))
                                                                            (C
                                                                             (8
                                                                              1)
                                                                             (28
                                                                              1)
                                                                             (31
                                                                              1))
                                                                            (C
                                                                             (9
                                                                              1)
                                                                             (27
                                                                              1)
                                                                             (33
                                                                              1))
                                                                            (C
                                                                             (11
                                                                              1)
                                                                             (18
                                                                              1)
                                                                             (25
                                                                              1))
                                                                            (C
                                                                             (12
                                                                              1)
                                                                             (19
                                                                              1)
                                                                             (33
                                                                              1))
                                                                            (C
                                                                             (17
                                                                              1)
                                                                             (19
                                                                              1)
                                                                             (27
                                                                              1))
                                                                            (C
                                                                             (18
                                                                              1)
                                                                             (20
                                                                              1)
                                                                             (26
                                                                              1))
                                                                            (C
                                                                             (20
                                                                              1)
                                                                             (28
                                                                              1)
                                                                             (30
                                                                              1))
                                                                            (R2
                                                                             (21
                                                                              1))))
(3-Beta-Hydroxysterol-Esters "a 3-beta-hydroxysterol ester" NIL ((C
                                                                  (19
                                                                   1))
                                                                 (C
                                                                  (20
                                                                   1))
                                                                 (R1
                                                                  (14
                                                                   1))
                                                                 (C
                                                                  (8 1)
                                                                  (14
                                                                   1))
                                                                 (C
                                                                  (7 1)
                                                                  (15
                                                                   1))
                                                                 (C
                                                                  (10
                                                                   1)
                                                                  (13
                                                                   1))
                                                                 (C
                                                                  (5 1)
                                                                  (16
                                                                   1))
                                                                 (C
                                                                  (4 1)
                                                                  (17
                                                                   1))
                                                                 (C
                                                                  (11
                                                                   1)
                                                                  (18
                                                                   1))
                                                                 (C
                                                                  (6 1)
                                                                  (20
                                                                   1))
                                                                 (C
                                                                  (9 1)
                                                                  (19
                                                                   1))
                                                                 (C
                                                                  (13
                                                                   1)
                                                                  (15
                                                                   1))
                                                                 (C
                                                                  (21
                                                                   1)
                                                                  (6 1)
                                                                  (12
                                                                   1))
                                                                 (C
                                                                  (3 1)
                                                                  (4 1)
                                                                  (19
                                                                   1))
                                                                 (C
                                                                  (5 1)
                                                                  (12
                                                                   1)
                                                                  (20
                                                                   1))
                                                                 (C
                                                                  (7 1)
                                                                  (17
                                                                   1)
                                                                  (18
                                                                   1))
                                                                 (C
                                                                  (8 1)
                                                                  (16
                                                                   1)
                                                                  (19
                                                                   1))
                                                                 (C
                                                                  (9 1)
                                                                  (16
                                                                   1)
                                                                  (20
                                                                   1))
                                                                 (C
                                                                  (1 1)
                                                                  (11
                                                                   1)
                                                                  (14
                                                                   1)
                                                                  (17
                                                                   1))
                                                                 (C
                                                                  (2 1)
                                                                  (10
                                                                   1)
                                                                  (15
                                                                   1)
                                                                  (18
                                                                   1))
                                                                 (O
                                                                  (22
                                                                   1)
                                                                  (13
                                                                   1))
                                                                 (R1
                                                                  (21
                                                                   1))))
(Chlorides "a chloride" NIL ((R (2 1)) (CL (1 1))))
(Long-Chain-Polyphosphate "long chain polyphosphate" NIL ((O (17 2))
                                                          (O (18 2))
                                                          (O (19 2))
                                                          (O (20 2))
                                                          (O (21 2))
                                                          (O (17 1))
                                                          (O (17 1))
                                                          (O (18 1))
                                                          (O (18 1))
                                                          (O (19 1))
                                                          (O (20 1))
                                                          (O (21 1))
                                                          (O
                                                           (17 1)
                                                           (19 1))
                                                          (O
                                                           (18 1)
                                                           (20 1))
                                                          (O
                                                           (19 1)
                                                           (21 1))
                                                          (O
                                                           (20 1)
                                                           (21 1))
                                                          (P
                                                           (1 2)
                                                           (6 1)
                                                           (7 1)
                                                           (13 1))
                                                          (P
                                                           (2 2)
                                                           (8 1)
                                                           (9 1)
                                                           (14 1))
                                                          (P
                                                           (3 2)
                                                           (10 1)
                                                           (13 1)
                                                           (15 1))
                                                          (P
                                                           (4 2)
                                                           (11 1)
                                                           (14 1)
                                                           (16 1))
                                                          (P
                                                           (5 2)
                                                           (12 1)
                                                           (15 1)
                                                           (16 1))))
(Phospholipids "a phospholipid" NIL ((O (12 2))
                                     (O (13 2))
                                     (O (15 2))
                                     (O (15 1))
                                     (R1 (12 1))
                                     (C (14 1) (8 1))
                                     (C (14 1) (10 1))
                                     (O (12 1) (6 1))
                                     (O (15 1) (17 1))
                                     (O (15 1) (7 1))
                                     (O (14 1) (13 1))
                                     (C (8 1) (5 1) (1 2))
                                     (C (11 1) (16 1) (2 2))
                                     (C (11 1) (7 1) (6 1))
                                     (P (10 1) (9 1) (4 1) (3 2))
                                     (R2 (13 1))
                                     (R3 (9 1))))
(Lysophospholipids "a lysophospholipid" NIL ((O (11 2))
                                             (O (13 2))
                                             (O (13 1))
                                             (R1 (11 1))
                                             (C (7 1) (12 1))
                                             (C (9 1) (12 1))
                                             (O (5 1) (11 1))
                                             (O (14 1) (13 1))
                                             (O (6 1) (13 1))
                                             (O (12 1))
                                             (C (1 2) (4 1) (7 1))
                                             (C (5 1) (6 1) (10 1))
                                             (P
                                              (2 2)
                                              (3 1)
                                              (8 1)
                                              (9 1))
                                             (R2 (8 1))))
(1-Acylglycero-Phosphocholines "a 1-acyl-2-lyso-glycerophosphocholine" NIL ((C
                                                                             (18
                                                                              1))
                                                                            (C
                                                                             (18
                                                                              1))
                                                                            (C
                                                                             (18
                                                                              1))
                                                                            (O
                                                                             (16
                                                                              2))
                                                                            (O
                                                                             (19
                                                                              2))
                                                                            (O
                                                                             (17
                                                                              1))
                                                                            (O
                                                                             (-
                                                                              1)
                                                                             (19
                                                                              1))
                                                                            (R
                                                                             (16
                                                                              1))
                                                                            (C
                                                                             (10
                                                                              1)
                                                                             (14
                                                                              1))
                                                                            (C
                                                                             (9
                                                                              1)
                                                                             (18
                                                                              1))
                                                                            (C
                                                                             (13
                                                                              1)
                                                                             (17
                                                                              1))
                                                                            (C
                                                                             (15
                                                                              1)
                                                                             (17
                                                                              1))
                                                                            (O
                                                                             (11
                                                                              1)
                                                                             (16
                                                                              1))
                                                                            (O
                                                                             (9
                                                                              1)
                                                                             (19
                                                                              1))
                                                                            (O
                                                                             (12
                                                                              1)
                                                                             (19
                                                                              1))
                                                                            (C
                                                                             (4
                                                                              2)
                                                                             (8
                                                                              1)
                                                                             (13
                                                                              1))
                                                                            (C
                                                                             (6
                                                                              1)
                                                                             (11
                                                                              1)
                                                                             (12
                                                                              1))
                                                                            (N
                                                                             (+
                                                                              1)
                                                                             (1
                                                                              1)
                                                                             (2
                                                                              1)
                                                                             (3
                                                                              1)
                                                                             (10
                                                                              1))
                                                                            (P
                                                                             (5
                                                                              2)
                                                                             (7
                                                                              1)
                                                                             (14
                                                                              1)
                                                                             (15
                                                                              1))))
(1-Lysophosphatidates "a 1-lysophosphatidate" NIL ((O (11 2))
                                                   (O (13 2))
                                                   (O (13 1))
                                                   (R1 (11 1))
                                                   (C (7 1) (12 1))
                                                   (C (9 1) (12 1))
                                                   (O (5 1))
                                                   (O (14 1) (13 1))
                                                   (O (6 1) (13 1))
                                                   (O (11 1) (12 1))
                                                   (C
                                                    (1 2)
                                                    (4 1)
                                                    (10 1))
                                                   (C
                                                    (5 1)
                                                    (6 1)
                                                    (10 1))
                                                   (P
                                                    (2 2)
                                                    (3 1)
                                                    (8 1)
                                                    (9 1))
                                                   (R2 (8 1))))
(1-Lysophosphatidylglycerols "a 2-acyl-1-lyso-phosphatidylglycerol" NIL ((C
                                                                          (2
                                                                           1)
                                                                          (15
                                                                           1)
                                                                          (4
                                                                           1))
                                                                         (C
                                                                          (1
                                                                           1)
                                                                          (3
                                                                           1))
                                                                         (O
                                                                          (2
                                                                           1))
                                                                         (C
                                                                          (1
                                                                           1)
                                                                          (5
                                                                           1))
                                                                         (O
                                                                          (4
                                                                           1)
                                                                          (10
                                                                           1))
                                                                         (O
                                                                          (7
                                                                           1)
                                                                          (10
                                                                           1))
                                                                         (C
                                                                          (6
                                                                           1)
                                                                          (8
                                                                           1))
                                                                         (C
                                                                          (7
                                                                           1)
                                                                          (9
                                                                           1)
                                                                          (13
                                                                           1))
                                                                         (C
                                                                          (8
                                                                           1)
                                                                          (14
                                                                           1))
                                                                         (P
                                                                          (6
                                                                           1)
                                                                          (11
                                                                           1)
                                                                          (12
                                                                           2)
                                                                          (5
                                                                           1))
                                                                         (O
                                                                          (10
                                                                           1))
                                                                         (O
                                                                          (10
                                                                           2))
                                                                         (O
                                                                          (8
                                                                           1))
                                                                         (O
                                                                          (9
                                                                           1))
                                                                         (O
                                                                          (1
                                                                           1)
                                                                          (16
                                                                           1))
                                                                         (R1
                                                                          (15
                                                                           1))))
(2-ACYL-GPE "a 1-lyso-2-acyl-sn-glycero-3-phosphoethanolamine" NIL ((C
                                                                     (4
                                                                      1)
                                                                     (3
                                                                      1)
                                                                     (2
                                                                      1))
                                                                    (O
                                                                     (7
                                                                      1)
                                                                     (1
                                                                      1))
                                                                    (C
                                                                     (6
                                                                      1)
                                                                     (1
                                                                      1))
                                                                    (C
                                                                     (5
                                                                      1)
                                                                     (1
                                                                      1))
                                                                    (O
                                                                     (10
                                                                      1)
                                                                     (4
                                                                      1))
                                                                    (O
                                                                     (3
                                                                      1))
                                                                    (C
                                                                     (2
                                                                      1)
                                                                     (9
                                                                      2)
                                                                     (8
                                                                      1))
                                                                    (R1
                                                                     (7
                                                                      1))
                                                                    (O
                                                                     (7
                                                                      2))
                                                                    (P
                                                                     (13
                                                                      2)
                                                                     (12
                                                                      1)
                                                                     (11
                                                                      1)
                                                                     (5
                                                                      1))
                                                                    (O
                                                                     (14
                                                                      1)
                                                                     (10
                                                                      1))
                                                                    (O
                                                                     (10
                                                                      1))
                                                                    (O
                                                                     (10
                                                                      2))
                                                                    (C
                                                                     (15
                                                                      1)
                                                                     (11
                                                                      1))
                                                                    (C
                                                                     (16
                                                                      1)
                                                                     (14
                                                                      1))
                                                                    (N
                                                                     (15
                                                                      1))))
(2-Acylglycero-Phosphocholines "a 1-lyso-2-acyl-sn-glycero-3-phosphocholine" NIL ((C
                                                                                   (8
                                                                                    1)
                                                                                   (15
                                                                                    1))
                                                                                  (C
                                                                                   (8
                                                                                    1))
                                                                                  (C
                                                                                   (5
                                                                                    1)
                                                                                   (7
                                                                                    1)
                                                                                   (12
                                                                                    1))
                                                                                  (O
                                                                                   (13
                                                                                    1)
                                                                                   (15
                                                                                    1))
                                                                                  (O
                                                                                   (14
                                                                                    1)
                                                                                   (3
                                                                                    1))
                                                                                  (O
                                                                                   (13
                                                                                    2))
                                                                                  (C
                                                                                   (3
                                                                                    1)
                                                                                   (10
                                                                                    1))
                                                                                  (N
                                                                                   (+
                                                                                    1)
                                                                                   (1
                                                                                    1)
                                                                                   (2
                                                                                    1)
                                                                                   (16
                                                                                    1)
                                                                                   (19
                                                                                    1))
                                                                                  (O
                                                                                   (12
                                                                                    1))
                                                                                  (O
                                                                                   (7
                                                                                    1)
                                                                                   (13
                                                                                    1))
                                                                                  (O
                                                                                   (13
                                                                                    1))
                                                                                  (C
                                                                                   (9
                                                                                    1)
                                                                                   (3
                                                                                    1))
                                                                                  (P
                                                                                   (4
                                                                                    1)
                                                                                   (6
                                                                                    2)
                                                                                   (10
                                                                                    1)
                                                                                   (11
                                                                                    1))
                                                                                  (C
                                                                                   (5
                                                                                    1)
                                                                                   (17
                                                                                    1)
                                                                                   (18
                                                                                    2))
                                                                                  (C
                                                                                   (1
                                                                                    1)
                                                                                   (4
                                                                                    1))
                                                                                  (C
                                                                                   (8
                                                                                    1))
                                                                                  (R1
                                                                                   (14
                                                                                    1))
                                                                                  (O
                                                                                   (14
                                                                                    2))
                                                                                  (C
                                                                                   (8
                                                                                    1))))
(2-Lysophosphatidylcholines "a 2-lysophosphatidylcholine" NIL ((C
                                                                (13 1)
                                                                (2 1))
                                                               (O
                                                                (3 1)
                                                                (1 1))
                                                               (P
                                                                (6 2)
                                                                (5 1)
                                                                (4 1)
                                                                (2 1))
                                                               (O
                                                                (7 1)
                                                                (3 1))
                                                               (O
                                                                (3 1))
                                                               (O
                                                                (3 2))
                                                               (C
                                                                (8 1)
                                                                (4 1))
                                                               (C
                                                                (9 1)
                                                                (7 1))
                                                               (N
                                                                (+ 1)
                                                                (12 1)
                                                                (11 1)
                                                                (10 1)
                                                                (8 1))
                                                               (C
                                                                (9 1))
                                                               (C
                                                                (9 1))
                                                               (C
                                                                (9 1))
                                                               (C
                                                                (15 1)
                                                                (14 1)
                                                                (1 1))
                                                               (C
                                                                (16 1)
                                                                (13 1))
                                                               (O
                                                                (13 1))
                                                               (O
                                                                (17 1)
                                                                (14 1))
                                                               (C
                                                                (16 1)
                                                                (19 2)
                                                                (18 1))
                                                               (R1
                                                                (17 1))
                                                               (O
                                                                (17
                                                                 2))))
(2-LYSOPHOSPHATIDYLETHANOLAMINES "a 2-lyso-phosphatidyl-ethanolamine" NIL ((O
                                                                            (3
                                                                             1)
                                                                            (4
                                                                             1))
                                                                           (O
                                                                            (4
                                                                             1))
                                                                           (C
                                                                            (15
                                                                             1)
                                                                            (1
                                                                             1))
                                                                           (P
                                                                            (11
                                                                             1)
                                                                            (6
                                                                             2)
                                                                            (2
                                                                             1)
                                                                            (1
                                                                             1))
                                                                           (O
                                                                            (7
                                                                             1)
                                                                            (12
                                                                             1))
                                                                           (O
                                                                            (4
                                                                             2))
                                                                           (C
                                                                            (14
                                                                             2)
                                                                            (8
                                                                             1)
                                                                            (5
                                                                             1))
                                                                           (R1
                                                                            (7
                                                                             1))
                                                                           (N
                                                                            (15
                                                                             1))
                                                                           (C
                                                                            (13
                                                                             1)
                                                                            (11
                                                                             1))
                                                                           (O
                                                                            (4
                                                                             1)
                                                                            (10
                                                                             1))
                                                                           (C
                                                                            (13
                                                                             1)
                                                                            (5
                                                                             1))
                                                                           (C
                                                                            (16
                                                                             1)
                                                                            (10
                                                                             1)
                                                                            (12
                                                                             1))
                                                                           (O
                                                                            (7
                                                                             2))
                                                                           (C
                                                                            (3
                                                                             1)
                                                                            (9
                                                                             1))
                                                                           (O
                                                                            (13
                                                                             1))))
(2-Lysophosphatidylglycerols "a 1-acyl-2-lyso-phosphatidylglycerol" NIL ((C
                                                                          (2
                                                                           1)
                                                                          (14
                                                                           1)
                                                                          (3
                                                                           1))
                                                                         (C
                                                                          (1
                                                                           1)
                                                                          (15
                                                                           1))
                                                                         (C
                                                                          (1
                                                                           1)
                                                                          (4
                                                                           1))
                                                                         (O
                                                                          (3
                                                                           1)
                                                                          (9
                                                                           1))
                                                                         (O
                                                                          (6
                                                                           1)
                                                                          (9
                                                                           1))
                                                                         (C
                                                                          (5
                                                                           1)
                                                                          (7
                                                                           1))
                                                                         (C
                                                                          (6
                                                                           1)
                                                                          (8
                                                                           1)
                                                                          (12
                                                                           1))
                                                                         (C
                                                                          (7
                                                                           1)
                                                                          (13
                                                                           1))
                                                                         (P
                                                                          (5
                                                                           1)
                                                                          (10
                                                                           1)
                                                                          (11
                                                                           2)
                                                                          (4
                                                                           1))
                                                                         (O
                                                                          (9
                                                                           1))
                                                                         (O
                                                                          (9
                                                                           2))
                                                                         (O
                                                                          (7
                                                                           1))
                                                                         (O
                                                                          (8
                                                                           1))
                                                                         (O
                                                                          (1
                                                                           1))
                                                                         (O
                                                                          (2
                                                                           1)
                                                                          (16
                                                                           1))
                                                                         (R1
                                                                          (15
                                                                           1))))
(ACYL-SN-GLYCEROL-3P "a 2-lysophosphatidate" NIL ((O (11 2))
                                                  (O (13 2))
                                                  (O (12 1))
                                                  (O (13 1))
                                                  (O (13 1))
                                                  (R (11 1))
                                                  (C (9 1) (12 1))
                                                  (C (10 1) (12 1))
                                                  (O (7 1) (11 1))
                                                  (O (8 1) (13 1))
                                                  (C (1 2) (6 1) (9 1))
                                                  (C (3 1) (7 1) (8 1))
                                                  (P
                                                   (2 2)
                                                   (4 1)
                                                   (5 1)
                                                   (10 1))))
(L-1-PHOSPHATIDYL-ETHANOLAMINE "an L-1-phosphatidyl-ethanolamine" NIL ((O
                                                                        (12
                                                                         2))
                                                                       (O
                                                                        (12
                                                                         1)
                                                                        (16
                                                                         1))
                                                                       (O
                                                                        (4
                                                                         1))
                                                                       (P
                                                                        (15
                                                                         2)
                                                                        (14
                                                                         1)
                                                                        (6
                                                                         1)
                                                                        (3
                                                                         1))
                                                                       (O
                                                                        (7
                                                                         1)
                                                                        (13
                                                                         1))
                                                                       (O
                                                                        (8
                                                                         1)
                                                                        (4
                                                                         1))
                                                                       (C
                                                                        (10
                                                                         2)
                                                                        (19
                                                                         1)
                                                                        (5
                                                                         1))
                                                                       (C
                                                                        (13
                                                                         1)
                                                                        (6
                                                                         1))
                                                                       (C
                                                                        (11
                                                                         1)
                                                                        (14
                                                                         1))
                                                                       (O
                                                                        (7
                                                                         2))
                                                                       (C
                                                                        (17
                                                                         1)
                                                                        (9
                                                                         1))
                                                                       (C
                                                                        (18
                                                                         1)
                                                                        (2
                                                                         1)
                                                                        (1
                                                                         2))
                                                                       (C
                                                                        (16
                                                                         1)
                                                                        (8
                                                                         1)
                                                                        (5
                                                                         1))
                                                                       (O
                                                                        (4
                                                                         1)
                                                                        (9
                                                                         1))
                                                                       (O
                                                                        (4
                                                                         2))
                                                                       (C
                                                                        (13
                                                                         1)
                                                                        (2
                                                                         1))
                                                                       (N
                                                                        (11
                                                                         1))
                                                                       (R1
                                                                        (12
                                                                         1))
                                                                       (R2
                                                                        (7
                                                                         1))))
(L-1-PHOSPHATIDYL-GLYCEROL "an L-1-phosphatidyl-glycerol" NIL ((O
                                                                (11 2))
                                                               (O
                                                                (12 2))
                                                               (O
                                                                (14 2))
                                                               (O
                                                                (14 1))
                                                               (R1
                                                                (11 1))
                                                               (C
                                                                (8 1)
                                                                (13 1))
                                                               (C
                                                                (9 1)
                                                                (13 1))
                                                               (O
                                                                (6 1)
                                                                (12 1))
                                                               (O
                                                                (7 1)
                                                                (14 1))
                                                               (O
                                                                (11 1)
                                                                (13 1))
                                                               (C
                                                                (1 2)
                                                                (5 1)
                                                                (10 1))
                                                               (C
                                                                (2 2)
                                                                (8 1)
                                                                (17 1))
                                                               (C
                                                                (6 1)
                                                                (7 1)
                                                                (10 1))
                                                               (P
                                                                (3 2)
                                                                (4 1)
                                                                (15 1)
                                                                (9 1))
                                                               (O
                                                                (16 1)
                                                                (14 1))
                                                               (C
                                                                (18 1)
                                                                (15 1))
                                                               (R1
                                                                (12 1))
                                                               (C
                                                                (20 1)
                                                                (16 1)
                                                                (19 1))
                                                               (O
                                                                (18 1))
                                                               (C
                                                                (18 1)
                                                                (21 1))
                                                               (O
                                                                (20
                                                                 1))))
(L-1-PHOSPHATIDYL-GLYCEROL-P "an L-1-phosphatidylglycerol-phosphate" NIL ((P
                                                                           (20
                                                                            1)
                                                                           (3
                                                                            2)
                                                                           (2
                                                                            1)
                                                                           (25
                                                                            1))
                                                                          (O
                                                                           (1
                                                                            1)
                                                                           (12
                                                                            1))
                                                                          (O
                                                                           (1
                                                                            2))
                                                                          (P
                                                                           (16
                                                                            1)
                                                                           (6
                                                                            2)
                                                                           (18
                                                                            1)
                                                                           (14
                                                                            1))
                                                                          (C
                                                                           (8
                                                                            1)
                                                                           (10
                                                                            1)
                                                                           (11
                                                                            1)
                                                                           (22
                                                                            1))
                                                                          (O
                                                                           (4
                                                                            2))
                                                                          (R
                                                                           (15
                                                                            1))
                                                                          (C
                                                                           (5
                                                                            1)
                                                                           (25
                                                                            1))
                                                                          (C
                                                                           (14
                                                                            1)
                                                                           (19
                                                                            1))
                                                                          (H
                                                                           (5
                                                                            1))
                                                                          (O
                                                                           (5
                                                                            1)
                                                                           (15
                                                                            1))
                                                                          (C
                                                                           (2
                                                                            1)
                                                                           (19
                                                                            1))
                                                                          (R
                                                                           (26
                                                                            1))
                                                                          (O
                                                                           (9
                                                                            1)
                                                                           (4
                                                                            1))
                                                                          (C
                                                                           (11
                                                                            1)
                                                                           (17
                                                                            2)
                                                                           (7
                                                                            1))
                                                                          (O
                                                                           (4
                                                                            1))
                                                                          (O
                                                                           (15
                                                                            2))
                                                                          (O
                                                                           (4
                                                                            1))
                                                                          (C
                                                                           (9
                                                                            1)
                                                                           (12
                                                                            1)
                                                                           (24
                                                                            1))
                                                                          (O
                                                                           (1
                                                                            1))
                                                                          (O
                                                                           (26
                                                                            2))
                                                                          (C
                                                                           (5
                                                                            1)
                                                                           (23
                                                                            1))
                                                                          (O
                                                                           (22
                                                                            1)
                                                                           (26
                                                                            1))
                                                                          (O
                                                                           (19
                                                                            1))
                                                                          (O
                                                                           (8
                                                                            1)
                                                                           (1
                                                                            1))
                                                                          (C
                                                                           (23
                                                                            1)
                                                                           (13
                                                                            1)
                                                                           (21
                                                                            2))))
(L-PHOSPHATIDATE "an L-phosphatidate" NIL ((O (8 1) (2 1))
                                           (C (3 1) (1 1))
                                           (C (5 1) (4 1) (2 1))
                                           (O (6 1) (3 1))
                                           (C (11 1) (3 1))
                                           (C (7 2) (16 1) (4 1))
                                           (O (6 2))
                                           (C (10 2) (9 1) (1 1))
                                           (R1 (8 1))
                                           (O (8 2))
                                           (O (12 1) (5 1))
                                           (P
                                            (15 1)
                                            (14 2)
                                            (13 1)
                                            (11 1))
                                           (O (12 1))
                                           (O (12 2))
                                           (O (12 1))
                                           (R2 (6 1))))
(PHOSPHATIDYLCHOLINE "a phosphatidylcholine" NIL ((C (9 1) (17 1))
                                                  (O (20 2))
                                                  (C (9 1))
                                                  (C
                                                   (6 1)
                                                   (8 1)
                                                   (14 1))
                                                  (O (15 1) (17 1))
                                                  (O (16 1) (4 1))
                                                  (O (15 2))
                                                  (C (4 1) (11 1))
                                                  (N
                                                   (+ 1)
                                                   (1 1)
                                                   (3 1)
                                                   (18 1)
                                                   (22 1))
                                                  (O (20 1) (14 1))
                                                  (O (8 1) (15 1))
                                                  (O (15 1))
                                                  (R2 (20 1))
                                                  (C (10 1) (4 1))
                                                  (P
                                                   (5 1)
                                                   (7 2)
                                                   (11 1)
                                                   (12 1))
                                                  (C
                                                   (6 1)
                                                   (19 1)
                                                   (21 2))
                                                  (C (1 1) (5 1))
                                                  (C (9 1))
                                                  (R1 (16 1))
                                                  (C
                                                   (2 2)
                                                   (10 1)
                                                   (13 1))
                                                  (O (16 2))
                                                  (C (9 1))))
(Sphingomyelins "a sphingomyelin" NIL ((C (32 1) (3 1))
                                       (C (23 1) (20 1) (33 1))
                                       (C (1 1) (25 1))
                                       (C (34 1))
                                       (O (9 1) (14 1))
                                       (C (34 1))
                                       (O (22 2))
                                       (C (16 1) (19 1))
                                       (P (5 1) (15 1) (26 1) (18 2))
                                       (C (27 1) (12 1))
                                       (C (21 1) (26 1))
                                       (C (10 1) (17 1))
                                       (C (17 1) (33 2))
                                       (C (5 1) (23 1))
                                       (O (9 1))
                                       (C (8 1) (30 1))
                                       (C (13 1) (12 1))
                                       (O (9 2))
                                       (C (8 1) (32 1))
                                       (O (2 1))
                                       (C (11 1) (34 1))
                                       (C (24 1) (7 2) (29 1))
                                       (C (2 1) (14 1) (29 1))
                                       (R1 (22 1))
                                       (C (3 1) (27 1))
                                       (O (9 1) (11 1))
                                       (C (10 1) (25 1))
                                       (C (34 1))
                                       (N (23 1) (22 1))
                                       (C (16 1) (31 1))
                                       (C (30 1))
                                       (C (1 1) (19 1))
                                       (C (13 2) (2 1))
                                       (N
                                        (+ 1)
                                        (21 1)
                                        (4 1)
                                        (6 1)
                                        (28 1))))
(Glucosyl-Ceramides "a glucosylceramide" NIL ((C (36 1) (2 1))
                                              (C (1 1) (3 2) (4 1))
                                              (O (2 2))
                                              (N (2 1) (5 1))
                                              (C (4 1) (6 1) (19 1))
                                              (C (5 1) (7 1))
                                              (O (6 1) (8 1))
                                              (C (7 1) (9 1) (13 1))
                                              (C (8 1) (10 1) (18 1))
                                              (C (9 1) (11 1) (17 1))
                                              (C (10 1) (12 1) (16 1))
                                              (C (11 1) (13 1) (14 1))
                                              (O (12 1) (8 1))
                                              (C (12 1) (15 1))
                                              (O (14 1))
                                              (O (11 1))
                                              (O (10 1))
                                              (O (9 1))
                                              (C (5 1) (20 1) (35 1))
                                              (C (19 1) (21 1))
                                              (C (20 1) (22 1))
                                              (C (21 1) (23 1))
                                              (C (22 1) (24 1))
                                              (C (23 1) (25 1))
                                              (C (24 1) (26 1))
                                              (C (25 1) (27 1))
                                              (C (26 1) (28 1))
                                              (C (27 1) (29 1))
                                              (C (28 1) (30 1))
                                              (C (29 1) (31 1))
                                              (C (30 1) (32 1))
                                              (C (31 1) (33 1))
                                              (C (32 1) (34 1))
                                              (C (33 1))
                                              (O (19 1))
                                              (R1 (1 1))))
(Inositolphosphoryl-Ceramides "an inositolphosphorylceramide" NIL ((C
                                                                    (24
                                                                     1)
                                                                    (2
                                                                     1))
                                                                   (C
                                                                    (1
                                                                     1)
                                                                    (3
                                                                     2)
                                                                    (4
                                                                     1))
                                                                   (O
                                                                    (2
                                                                     2))
                                                                   (N
                                                                    (2
                                                                     1)
                                                                    (5
                                                                     1))
                                                                   (C
                                                                    (4
                                                                     1)
                                                                    (6
                                                                     1)
                                                                    (7
                                                                     1))
                                                                   (C
                                                                    (5
                                                                     1)
                                                                    (37
                                                                     1))
                                                                   (C
                                                                    (5
                                                                     1)
                                                                    (8
                                                                     1)
                                                                    (23
                                                                     1))
                                                                   (C
                                                                    (7
                                                                     1)
                                                                    (9
                                                                     1))
                                                                   (C
                                                                    (8
                                                                     1)
                                                                    (10
                                                                     1))
                                                                   (C
                                                                    (9
                                                                     1)
                                                                    (11
                                                                     1))
                                                                   (C
                                                                    (10
                                                                     1)
                                                                    (12
                                                                     1))
                                                                   (C
                                                                    (11
                                                                     1)
                                                                    (13
                                                                     1))
                                                                   (C
                                                                    (12
                                                                     1)
                                                                    (14
                                                                     1))
                                                                   (C
                                                                    (13
                                                                     1)
                                                                    (15
                                                                     1))
                                                                   (C
                                                                    (14
                                                                     1)
                                                                    (16
                                                                     1))
                                                                   (C
                                                                    (15
                                                                     1)
                                                                    (17
                                                                     1))
                                                                   (C
                                                                    (16
                                                                     1)
                                                                    (18
                                                                     1))
                                                                   (C
                                                                    (17
                                                                     1)
                                                                    (19
                                                                     1))
                                                                   (C
                                                                    (18
                                                                     1)
                                                                    (20
                                                                     1))
                                                                   (C
                                                                    (19
                                                                     1)
                                                                    (21
                                                                     1))
                                                                   (C
                                                                    (20
                                                                     1)
                                                                    (22
                                                                     1))
                                                                   (C
                                                                    (21
                                                                     1))
                                                                   (O
                                                                    (7
                                                                     1))
                                                                   (R1
                                                                    (1
                                                                     1))
                                                                   (C
                                                                    (26
                                                                     1)
                                                                    (30
                                                                     1)
                                                                    (40
                                                                     1))
                                                                   (C
                                                                    (25
                                                                     1)
                                                                    (27
                                                                     1)
                                                                    (39
                                                                     1))
                                                                   (C
                                                                    (26
                                                                     1)
                                                                    (28
                                                                     1)
                                                                    (38
                                                                     1))
                                                                   (C
                                                                    (27
                                                                     1)
                                                                    (29
                                                                     1)
                                                                    (33
                                                                     1))
                                                                   (C
                                                                    (28
                                                                     1)
                                                                    (30
                                                                     1)
                                                                    (32
                                                                     1))
                                                                   (C
                                                                    (25
                                                                     1)
                                                                    (29
                                                                     1)
                                                                    (31
                                                                     1))
                                                                   (O
                                                                    (30
                                                                     1))
                                                                   (O
                                                                    (29
                                                                     1))
                                                                   (O
                                                                    (28
                                                                     1)
                                                                    (34
                                                                     1))
                                                                   (P
                                                                    (33
                                                                     1)
                                                                    (35
                                                                     2)
                                                                    (36
                                                                     1)
                                                                    (37
                                                                     1))
                                                                   (O
                                                                    (34
                                                                     2))
                                                                   (O
                                                                    (34
                                                                     1))
                                                                   (O
                                                                    (6
                                                                     1)
                                                                    (34
                                                                     1))
                                                                   (O
                                                                    (27
                                                                     1))
                                                                   (O
                                                                    (26
                                                                     1))
                                                                   (O
                                                                    (25
                                                                     1))))
(Phytoceramides "a phytoceramide" NIL ((C (19 1) (17 1))
                                       (N (20 1) (24 1))
                                       (C (21 1) (19 1))
                                       (O (20 2))
                                       (C (23 1) (21 1))
                                       (O (7 1))
                                       (C (6 1) (24 1) (23 1))
                                       (C (25 1) (24 1))
                                       (C (10 1))
                                       (C (9 1) (11 1))
                                       (C (10 1) (12 1))
                                       (C (11 1) (13 1))
                                       (C (12 1) (14 1))
                                       (C (13 1) (15 1))
                                       (C (14 1) (16 1))
                                       (C (15 1) (17 1))
                                       (C (16 1) (1 1))
                                       (O (23 1))
                                       (C (1 1) (3 1))
                                       (C (2 1) (22 1) (4 2))
                                       (C (3 1) (5 1))
                                       (R (20 1))
                                       (C (5 1) (7 1) (18 1))
                                       (C (7 1) (2 1) (8 1))
                                       (O (8 1))))
(Plant-Ceramide-Phosphate "a plant ceramide 1-phosphate" NIL ((C (2 1))
                                                              (C
                                                               (1 1)
                                                               (3 1))
                                                              (C
                                                               (2 1)
                                                               (4 1))
                                                              (C
                                                               (3 1)
                                                               (5 1))
                                                              (C
                                                               (4 1)
                                                               (6 1))
                                                              (C
                                                               (5 1)
                                                               (7 1))
                                                              (C
                                                               (6 1)
                                                               (8 1))
                                                              (C
                                                               (7 1)
                                                               (9 1))
                                                              (C
                                                               (8 1)
                                                               (10 1))
                                                              (C
                                                               (9 1)
                                                               (11 1))
                                                              (C
                                                               (10 1)
                                                               (12 1))
                                                              (C
                                                               (11 1)
                                                               (13 1))
                                                              (C
                                                               (12 1)
                                                               (14 1))
                                                              (C
                                                               (13 1)
                                                               (15 1))
                                                              (C
                                                               (14 1)
                                                               (16 1))
                                                              (C
                                                               (15 1)
                                                               (17 1)
                                                               (23 1))
                                                              (C
                                                               (16 1)
                                                               (18 1)
                                                               (19 1))
                                                              (C
                                                               (17 1)
                                                               (25 1))
                                                              (N
                                                               (17 1)
                                                               (20 1))
                                                              (C
                                                               (19 1)
                                                               (21 2)
                                                               (22 1))
                                                              (O
                                                               (20 2))
                                                              (C
                                                               (20 1)
                                                               (24 1))
                                                              (O
                                                               (16 1))
                                                              (R1
                                                               (22 1))
                                                              (O
                                                               (18 1)
                                                               (26 1))
                                                              (P
                                                               (25 1)
                                                               (27 1)
                                                               (28 1)
                                                               (29 2))
                                                              (O
                                                               (26 1))
                                                              (O
                                                               (26 1))
                                                              (O
                                                               (26 2))))
(Plant-Ceramides-I "a plant ceramide (I)" NIL ((C (2 1))
                                               (C (1 1) (3 1))
                                               (C (2 1) (4 1))
                                               (C (3 1) (5 1))
                                               (C (4 1) (6 1))
                                               (C (5 1) (7 1))
                                               (C (6 1) (8 1))
                                               (C (7 1) (9 1))
                                               (C (8 1) (10 1))
                                               (C (9 1) (11 1))
                                               (C (10 1) (12 1))
                                               (C (11 1) (13 1))
                                               (C (12 1) (14 1))
                                               (C (13 1) (15 1))
                                               (C (14 1) (16 1))
                                               (C (15 1) (17 1) (24 1))
                                               (C (16 1) (18 1) (20 1))
                                               (C (17 1) (19 1))
                                               (O (18 1))
                                               (N (17 1) (21 1))
                                               (C (20 1) (22 2) (23 1))
                                               (O (21 2))
                                               (C (21 1) (25 1))
                                               (O (16 1))
                                               (R1 (23 1))))
(Plant-Ceramides-II "a plant ceramide (II)" NIL ((C (2 1))
                                                 (C (1 1) (3 1))
                                                 (C (2 1) (4 1))
                                                 (C (3 1) (5 1))
                                                 (C (4 1) (6 1))
                                                 (C (5 1) (7 1))
                                                 (C (6 1) (8 1))
                                                 (C (7 1) (9 1))
                                                 (C (8 1) (10 1))
                                                 (C (9 1) (11 1))
                                                 (C (10 1) (12 1))
                                                 (C (11 1) (13 1))
                                                 (C (12 1) (14 1))
                                                 (C (13 1) (15 1))
                                                 (C (14 1) (16 1))
                                                 (C
                                                  (15 1)
                                                  (17 1)
                                                  (24 1))
                                                 (C
                                                  (16 1)
                                                  (18 1)
                                                  (20 1))
                                                 (C (17 1) (19 1))
                                                 (O (18 1))
                                                 (N (17 1) (21 1))
                                                 (C
                                                  (20 1)
                                                  (22 2)
                                                  (23 1))
                                                 (O (21 2))
                                                 (C
                                                  (21 1)
                                                  (25 1)
                                                  (26 1))
                                                 (O (16 1))
                                                 (R1 (23 1))
                                                 (O (23 1))))
(Plant-Ceramides-III "a plant ceramide (III)" NIL ((C (2 1))
                                                   (C (1 1) (3 1))
                                                   (C (2 1) (4 1))
                                                   (C (3 1) (5 1))
                                                   (C (4 1) (6 1))
                                                   (C (5 1) (7 1))
                                                   (C (6 1) (8 1))
                                                   (C (7 1) (9 1))
                                                   (C (8 1) (10 1))
                                                   (C (9 1) (11 1))
                                                   (C (10 1) (12 1))
                                                   (C (11 1) (13 1))
                                                   (C (12 1) (14 1))
                                                   (C (13 1) (15 1))
                                                   (C
                                                    (14 1)
                                                    (16 1)
                                                    (26 1))
                                                   (C
                                                    (15 1)
                                                    (17 1)
                                                    (24 1))
                                                   (C
                                                    (16 1)
                                                    (18 1)
                                                    (20 1))
                                                   (C (17 1) (19 1))
                                                   (O (18 1))
                                                   (N (17 1) (21 1))
                                                   (C
                                                    (20 1)
                                                    (22 2)
                                                    (23 1))
                                                   (O (21 2))
                                                   (C (21 1) (25 1))
                                                   (O (16 1))
                                                   (R1 (23 1))
                                                   (O (15 1))))
(Plant-Ceramides-IV "a plant ceramide (IV)" NIL ((C (2 1))
                                                 (C (1 1) (3 1))
                                                 (C (2 1) (4 1))
                                                 (C (3 1) (5 1))
                                                 (C (4 1) (6 1))
                                                 (C (5 1) (7 1))
                                                 (C (6 1) (8 1))
                                                 (C (7 1) (9 1))
                                                 (C (8 1) (10 1))
                                                 (C (9 1) (11 2))
                                                 (C (10 2) (12 1))
                                                 (C (11 1) (13 1))
                                                 (C (12 1) (14 1))
                                                 (C (13 1) (15 1))
                                                 (C
                                                  (14 1)
                                                  (16 1)
                                                  (26 1))
                                                 (C
                                                  (15 1)
                                                  (17 1)
                                                  (24 1))
                                                 (C
                                                  (16 1)
                                                  (18 1)
                                                  (20 1))
                                                 (C (17 1) (19 1))
                                                 (O (18 1))
                                                 (N (17 1) (21 1))
                                                 (C
                                                  (20 1)
                                                  (22 2)
                                                  (23 1))
                                                 (O (21 2))
                                                 (C (21 1) (25 1))
                                                 (O (16 1))
                                                 (R1 (23 1))
                                                 (O (15 1))))
(Plant-ceramides-V "a plant ceramide (V)" NIL ((O (4 1))
                                               (O (5 1))
                                               (O (7 1))
                                               (C (1 1) (5 1) (6 1))
                                               (C (2 1) (4 1) (8 1))
                                               (C (4 1) (7 1) (22 1))
                                               (C (3 1) (6 1))
                                               (C (5 1) (9 1))
                                               (C (8 1) (10 1))
                                               (C (9 1) (11 1))
                                               (C (10 1) (12 1))
                                               (C (11 1) (13 1))
                                               (C (12 1) (14 1))
                                               (C (13 1) (15 1))
                                               (C (14 1) (16 1))
                                               (C (15 1) (17 1))
                                               (C (16 1) (18 1))
                                               (C (17 1) (19 1))
                                               (C (18 1) (20 1))
                                               (C (19 1) (21 1))
                                               (C (20 1))
                                               (N (6 1) (23 1))
                                               (C (22 1) (24 1) (27 2))
                                               (C (23 1) (25 1) (26 1))
                                               (R1 (24 1))
                                               (O (24 1))
                                               (O (23 2))))
(Chlorins "a chlorin" NIL ((C (14 2) (7 1)) (C (11 1) (8 2))
                           (C (13 2) (9 1)) (C (12 1) (10 2))
                           (C (15 1) (7 2)) (C (16 2) (8 1))
                           (C (21 1) (5 2) (1 1))
                           (C (22 1) (6 1) (2 2))
                           (C (21 1) (15 2) (3 1))
                           (C (22 1) (16 1) (4 2))
                           (C (23 2) (17 1) (2 1))
                           (C (24 2) (18 1) (4 1))
                           (C (23 1) (19 1) (3 2))
                           (C (24 1) (20 1) (1 2)) (C (9 2) (5 1))
                           (C (10 1) (6 2)) (C (19 1) (11 1))
                           (C (20 2) (12 1)) (C (17 1) (13 1))
                           (C (18 2) (14 1)) (N (9 1) (7 1))
                           (N (10 1) (8 1)) (N (13 1) (11 2))
                           (N (14 1) (12 2))))
(Corrins "a corrin" NIL ((C (5 1) (4 1) (3 1) (2 1))
                         (C (8 1) (7 1) (6 1) (1 1)) (N (9 1) (1 1))
                         (C (12 1) (11 1) (10 1) (1 1)) (R (1 1))
                         (N (13 2) (2 1))
                         (C (16 1) (15 1) (14 1) (2 1)) (R (2 1))
                         (C (10 1) (17 2) (3 1))
                         (C (9 1) (19 1) (18 1) (4 1)) (R (4 1))
                         (R (4 1)) (C (14 1) (20 1) (6 2))
                         (C (13 1) (22 1) (21 1) (7 1)) (R (7 1))
                         (R (7 1)) (C (24 1) (23 1) (9 2)) (R (10 1))
                         (R (10 1)) (C (26 1) (25 2) (13 1)) (R (14 1))
                         (R (14 1)) (C (28 1) (27 2) (17 1)) (R (17 1))
                         (C (30 1) (29 1) (20 2)) (R (20 1))
                         (N (31 1) (23 2))
                         (C (34 1) (33 1) (32 1) (23 1))
                         (N (35 2) (25 1))
                         (C (38 1) (37 1) (36 1) (25 1))
                         (C (32 1) (39 2) (27 1))
                         (C (31 1) (41 1) (40 1) (28 1)) (R (28 1))
                         (R (28 1)) (C (39 1) (36 1) (29 2))
                         (C (35 1) (43 1) (42 1) (30 1)) (R (30 1))
                         (R (30 1)) (C (35 1) (44 1) (31 2)) (R (32 1))
                         (R (32 1)) (R (36 1)) (R (36 1)) (R (39 1))))
(Porphyrins "a porphyrin" NIL ((C (7 1) (14 2)) (C (8 2) (11 1))
                               (C (9 1) (13 2)) (C (10 2) (12 1))
                               (C (7 2) (15 1)) (C (8 1) (16 2))
                               (C (1 1) (5 2) (21 1))
                               (C (2 2) (6 1) (22 1))
                               (C (3 1) (15 2) (21 1))
                               (C (4 2) (16 1) (22 1))
                               (C (2 1) (17 1) (23 2))
                               (C (4 1) (18 1) (24 2))
                               (C (3 2) (19 1) (23 1))
                               (C (1 2) (20 1) (24 1)) (C (5 1) (9 2))
                               (C (6 2) (10 1)) (C (11 1) (19 2))
                               (C (12 1) (20 2)) (C (13 1) (17 2))
                               (C (14 1) (18 2)) (N (7 1) (9 1))
                               (N (8 1) (10 1)) (N (11 2) (13 1))
                               (N (12 2) (14 1))))
(Bacteriochlorins "a bacteriochlorin" NIL ((C (14 2) (7 1))
                                           (C (11 1) (8 2))
                                           (C (13 2) (9 1))
                                           (C (12 1) (10 2))
                                           (C (15 1) (7 2))
                                           (C (16 2) (8 1))
                                           (C (21 1) (5 2) (1 1))
                                           (C (22 1) (6 1) (2 2))
                                           (C (21 1) (15 2) (3 1))
                                           (C (22 1) (16 1) (4 2))
                                           (C (23 2) (17 1) (2 1))
                                           (C (24 2) (18 1) (4 1))
                                           (C (23 1) (19 1) (3 2))
                                           (C (24 1) (20 1) (1 2))
                                           (C (9 2) (5 1))
                                           (C (10 1) (6 2))
                                           (C (19 1) (11 1))
                                           (C (20 1) (12 1))
                                           (C (17 1) (13 1))
                                           (C (18 1) (14 1))
                                           (N (9 1) (7 1))
                                           (N (10 1) (8 1))
                                           (N (13 1) (11 2))
                                           (N (14 1) (12 2))))
(RHg "an alkylmercury" NIL ((R (2 1)) (HG (+ 1) (1 1))))
(DIPEPTIDES "a dipeptide" NIL ((O (3 2)) (O (3 1))
                               (C (1 2) (2 1) (4 1))
                               (C (12 1) (7 1) (3 1))
                               (C (11 1) (10 1) (6 1))
                               (C (9 2) (5 1) (7 1))
                               (N (8 1) (6 1) (4 1)) (H (7 1))
                               (O (6 2)) (N (5 1)) (R1 (5 1))
                               (R2 (4 1))))
(Aryl-sulfates "an aryl sulfate" NIL ((O (11 2))
                                      (C
                                       (12 :AROMATIC)
                                       (13 1)
                                       (5 :AROMATIC))
                                      (C
                                       (7 :AROMATIC)
                                       (9 1)
                                       (12 :AROMATIC))
                                      (O (11 1))
                                      (C
                                       (2 :AROMATIC)
                                       (14 1)
                                       (8 :AROMATIC))
                                      (O (11 1) (12 1))
                                      (C
                                       (3 :AROMATIC)
                                       (8 :AROMATIC)
                                       (16 1))
                                      (C
                                       (7 :AROMATIC)
                                       (5 :AROMATIC)
                                       (15 1))
                                      (R1 (3 1))
                                      (O (11 2))
                                      (S (1 2) (4 1) (6 1) (10 2))
                                      (C
                                       (2 :AROMATIC)
                                       (6 1)
                                       (3 :AROMATIC))
                                      (R2 (2 1))
                                      (R3 (5 1))
                                      (R (8 1))
                                      (R (7 1))))
(Sulfamates "a sulfamate" NIL ((R (6 1)) (S (3 1) (6 1) (4 2) (5 2))
                               (N (2 1) (7 1) (8 1)) (O (2 2))
                               (O (2 2)) (O (2 1) (1 1)) (H (3 1))
                               (H (3 1))))
(Sulfhydryls "R'C(R)SH" NIL ((C (4 1) (3 1) (2 1)) (S (1 1)) (R1 (1 1))
                             (R2 (1 1))))
(Thiols "a thiol" NIL ((S (2 1)) (R (1 1))))
(Hydroxyacyl-glutathiones "a hydroxyacyl glutathione" NIL ((N (21 1))
                                                           (O (16 2))
                                                           (O (17 2))
                                                           (O (18 2))
                                                           (O (19 2))
                                                           (O (20 2))
                                                           (O (16 1))
                                                           (O (17 1))
                                                           (C
                                                            (11 1)
                                                            (19 1))
                                                           (C
                                                            (13 1)
                                                            (16 1))
                                                           (C
                                                            (9 1)
                                                            (21 1))
                                                           (C
                                                            (15 1)
                                                            (22 1))
                                                           (N
                                                            (10 1)
                                                            (20 1))
                                                           (N
                                                            (19 1)
                                                            (22 1))
                                                           (S
                                                            (12 1)
                                                            (18 1))
                                                           (C
                                                            (2 2)
                                                            (7 1)
                                                            (10 1))
                                                           (C
                                                            (3 2)
                                                            (8 1)
                                                            (21 1))
                                                           (C
                                                            (4 2)
                                                            (23 1)
                                                            (15 1))
                                                           (C
                                                            (5 2)
                                                            (9 1)
                                                            (14 1))
                                                           (C
                                                            (6 2)
                                                            (13 1)
                                                            (22 1))
                                                           (C
                                                            (1 1)
                                                            (11 1)
                                                            (17 1))
                                                           (C
                                                            (12 1)
                                                            (14 1)
                                                            (20 1))
                                                           (R1
                                                            (18 1)
                                                            (24 1))
                                                           (O (23 1))))
(Alkyl-Thiols "an alkyl-thiol" NIL ((S (2 1)) (R (1 1))))
(Disulfides "a disulfide" NIL ((S (2 1) (4 1)) (S (1 1) (3 1))
                               (R1 (2 1)) (R1 (1 1))))
(Perthiols "a perthiol" NIL ((R1 (2 1)) (S (1 1) (3 1)) (S (2 1))))
(Protein-Disulfides "a protein disulfide" NIL ((S (7 1) (2 1))
                                               (S (3 1) (1 1))
                                               (R1 (2 1) (6 1) (4 1))
                                               (|Protein| (3 1))
                                               (|Protein| (7 1))
                                               (R2 (7 1) (3 1))
                                               (R3 (6 1) (1 1) (5 1))))
(Protein-Dithiols "a protein dithiol" NIL ((S (3 1))
                                           (S (7 1))
                                           (R1 (1 1) (6 1) (4 1))
                                           (|Protein| (3 1))
                                           (|Protein| (7 1))
                                           (R2 (7 1) (3 1))
                                           (R3 (2 1) (6 1) (5 1))))
(Thio-Ethers "a thioether" NIL ((R (3 1)) (R (3 1)) (S (1 1) (2 1))))
(NCCS "a nonfluorescent chlorophyll catabolite" NIL ((C
                                                      (2 :AROMATIC)
                                                      (18 :AROMATIC)
                                                      (40 1))
                                                     (C
                                                      (1 :AROMATIC)
                                                      (3 :AROMATIC)
                                                      (7 1))
                                                     (C
                                                      (2 :AROMATIC)
                                                      (4 :AROMATIC)
                                                      (6 1))
                                                     (C
                                                      (3 :AROMATIC)
                                                      (18 :AROMATIC)
                                                      (5 1))
                                                     (C (4 1) (12 1))
                                                     (C (3 1) (45 1))
                                                     (C (2 1))
                                                     (C
                                                      (9 1)
                                                      (19 1)
                                                      (42 2))
                                                     (C
                                                      (8 1)
                                                      (11 2)
                                                      (44 1))
                                                     (C
                                                      (19 1)
                                                      (11 1)
                                                      (13 1))
                                                     (C
                                                      (9 2)
                                                      (10 1)
                                                      (29 1))
                                                     (C
                                                      (5 1)
                                                      (21 :AROMATIC)
                                                      (22 :AROMATIC))
                                                     (C (10 1) (14 1))
                                                     (C
                                                      (13 1)
                                                      (20 :AROMATIC)
                                                      (17 :AROMATIC))
                                                     (C
                                                      (20 :AROMATIC)
                                                      (16 :AROMATIC)
                                                      (33 1))
                                                     (C
                                                      (15 :AROMATIC)
                                                      (17 :AROMATIC)
                                                      (25 1))
                                                     (C
                                                      (14 :AROMATIC)
                                                      (16 :AROMATIC)
                                                      (24 1))
                                                     (N
                                                      (1 :AROMATIC)
                                                      (4 :AROMATIC))
                                                     (N (8 1) (10 1))
                                                     (N
                                                      (14 :AROMATIC)
                                                      (15 :AROMATIC))
                                                     (N
                                                      (12 :AROMATIC)
                                                      (32 :AROMATIC))
                                                     (C
                                                      (12 :AROMATIC)
                                                      (31 :AROMATIC)
                                                      (23 1))
                                                     (C (22 1))
                                                     (C (17 1))
                                                     (C (16 1) (26 1))
                                                     (C (25 1) (27 1))
                                                     (C
                                                      (26 1)
                                                      (30 1)
                                                      (28 2))
                                                     (O (27 2))
                                                     (C (11 1))
                                                     (O (27 1))
                                                     (C
                                                      (22 :AROMATIC)
                                                      (35 1)
                                                      (32 :AROMATIC))
                                                     (C
                                                      (21 :AROMATIC)
                                                      (31 :AROMATIC)
                                                      (33 1))
                                                     (C
                                                      (15 1)
                                                      (34 1)
                                                      (32 1))
                                                     (C
                                                      (33 1)
                                                      (35 1)
                                                      (36 1))
                                                     (C
                                                      (31 1)
                                                      (34 1)
                                                      (37 2))
                                                     (C
                                                      (34 1)
                                                      (38 1)
                                                      (39 2))
                                                     (O (35 2))
                                                     (O (36 1) (47 1))
                                                     (O (36 2))
                                                     (C
                                                      (1 1)
                                                      (43 2)
                                                      (41 1))
                                                     (H (40 1))
                                                     (O (8 2))
                                                     (O (40 2))
                                                     (R1 (9 1))
                                                     (C (6 1) (46 1))
                                                     (R2 (45 1))
                                                     (R3 (38 1))))
(Glucosinolates "a glucosinolate" NIL ((O (11 2))
                                       (C (9 1) (8 1) (10 1))
                                       (N (20 2) (7 1))
                                       (C (18 1) (5 1))
                                       (O (4 1))
                                       (S (20 1) (12 1))
                                       (O (11 1) (3 1))
                                       (O (12 1) (2 1))
                                       (O (2 1))
                                       (C (17 1) (13 1) (2 1))
                                       (S (15 1) (1 2) (19 2) (7 1))
                                       (C (18 1) (8 1) (6 1))
                                       (C (14 1) (18 1) (10 1))
                                       (O (13 1))
                                       (O (- 1) (11 1))
                                       (R1 (20 1))
                                       (O (10 1))
                                       (C (4 1) (12 1) (13 1))
                                       (O (11 2))
                                       (C (3 2) (6 1) (16 1))))
(PENICILLIN "a penicillin" NIL ((R (2 1))
                                (C (1 1) (3 2) (4 1))
                                (O (2 2))
                                (N (2 1) (5 1))
                                (C (4 1) (6 1) (7 1) (13 1))
                                (C (5 1) (8 1) (12 2))
                                (C (5 1) (8 1) (11 1) (14 1))
                                (N (6 1) (7 1) (9 1))
                                (C (10 1) (8 1) (17 1))
                                (C (9 1) (11 1) (15 1) (16 1))
                                (S (10 1) (7 1))
                                (O (6 2))
                                (H (5 1))
                                (H (7 1))
                                (C (10 1))
                                (C (10 1))
                                (C (18 1) (19 2) (9 1))
                                (O (17 1))
                                (O (17 2))))
(Kanamycins "a kanamycin" NIL ((N (19 1)) (N (20 1)) (N (21 1))
                               (O (12 1)) (O (22 1)) (O (23 1))
                               (O (24 1)) (O (25 1)) (O (26 1))
                               (R (13 1)) (R (27 1)) (C (4 1) (28 1))
                               (C (10 1) (29 1)) (C (19 1) (20 1))
                               (O (28 1) (30 1)) (O (29 1) (31 1))
                               (O (30 1) (32 1)) (O (31 1) (33 1))
                               (C (1 1) (14 1) (32 1))
                               (C (2 1) (14 1) (33 1))
                               (C (3 1) (22 1) (23 1))
                               (C (5 1) (21 1) (28 1))
                               (C (6 1) (21 1) (30 1))
                               (C (7 1) (25 1) (27 1))
                               (C (8 1) (24 1) (29 1))
                               (C (9 1) (32 1) (33 1))
                               (C (11 1) (24 1) (31 1))
                               (C (12 1) (15 1) (22 1))
                               (C (13 1) (16 1) (25 1))
                               (C (15 1) (17 1) (23 1))
                               (C (16 1) (18 1) (27 1))
                               (C (17 1) (19 1) (26 1))
                               (C (18 1) (20 1) (26 1))))
(Kanamycin-3-phosphates "a kanamycin-3-phosphate" NIL ((N (22 1))
                                                       (N (23 1))
                                                       (N (24 1))
                                                       (O (37 2))
                                                       (O (14 1))
                                                       (O (25 1))
                                                       (O (26 1))
                                                       (O (27 1))
                                                       (O (28 1))
                                                       (O (37 1))
                                                       (O (37 1))
                                                       (R (15 1))
                                                       (R (29 1))
                                                       (C (5 1) (30 1))
                                                       (C
                                                        (12 1)
                                                        (31 1))
                                                       (C
                                                        (22 1)
                                                        (23 1))
                                                       (O
                                                        (30 1)
                                                        (32 1))
                                                       (O
                                                        (31 1)
                                                        (33 1))
                                                       (O
                                                        (32 1)
                                                        (34 1))
                                                       (O
                                                        (33 1)
                                                        (35 1))
                                                       (O
                                                        (36 1)
                                                        (37 1))
                                                       (C
                                                        (1 1)
                                                        (16 1)
                                                        (34 1))
                                                       (C
                                                        (2 1)
                                                        (16 1)
                                                        (35 1))
                                                       (C
                                                        (3 1)
                                                        (25 1)
                                                        (26 1))
                                                       (C
                                                        (6 1)
                                                        (24 1)
                                                        (30 1))
                                                       (C
                                                        (7 1)
                                                        (24 1)
                                                        (32 1))
                                                       (C
                                                        (8 1)
                                                        (31 1)
                                                        (36 1))
                                                       (C
                                                        (9 1)
                                                        (34 1)
                                                        (35 1))
                                                       (C
                                                        (13 1)
                                                        (33 1)
                                                        (36 1))
                                                       (C
                                                        (14 1)
                                                        (17 1)
                                                        (25 1))
                                                       (C
                                                        (15 1)
                                                        (18 1)
                                                        (27 1))
                                                       (C
                                                        (17 1)
                                                        (19 1)
                                                        (26 1))
                                                       (C
                                                        (18 1)
                                                        (20 1)
                                                        (29 1))
                                                       (C
                                                        (19 1)
                                                        (22 1)
                                                        (28 1))
                                                       (C
                                                        (20 1)
                                                        (23 1)
                                                        (28 1))
                                                       (C
                                                        (21 1)
                                                        (27 1)
                                                        (29 1))
                                                       (P
                                                        (4 2)
                                                        (10 1)
                                                        (11 1)
                                                        (21 1))))
(Sterols "a sterol" NIL ((C (20 1)) (C (21 1)) (O (14 1)) (R (15 1))
                         (C (9 1) (15 1)) (C (8 1) (16 1))
                         (C (11 1) (14 1)) (C (6 1) (17 1))
                         (C (5 1) (18 1)) (C (12 1) (19 1))
                         (C (7 1) (21 1)) (C (10 1) (20 1))
                         (C (14 1) (16 1)) (C (3 1) (7 1) (13 1))
                         (C (4 1) (5 1) (20 1)) (C (6 1) (13 1) (21 1))
                         (C (8 1) (18 1) (19 1))
                         (C (9 1) (17 1) (20 1))
                         (C (10 1) (17 1) (21 1))
                         (C (1 1) (12 1) (15 1) (18 1))
                         (C (2 1) (11 1) (16 1) (19 1))))
(11-Beta-Hydroxysteroids1 "an 11-beta-hydroxysteroid" NIL ((C (20 1))
                                                           (C (21 1))
                                                           (O (14 1))
                                                           (R (15 1))
                                                           (C
                                                            (6 1)
                                                            (7 1))
                                                           (C
                                                            (5 1)
                                                            (12 1))
                                                           (C
                                                            (5 1)
                                                            (16 1))
                                                           (C
                                                            (11 1)
                                                            (15 1))
                                                           (C
                                                            (10 1)
                                                            (16 1))
                                                           (C
                                                            (9 1)
                                                            (17 1))
                                                           (C
                                                            (8 1)
                                                            (18 1))
                                                           (C
                                                            (6 1)
                                                            (21 1))
                                                           (C
                                                            (14 1)
                                                            (20 1))
                                                           (C
                                                            (3 1)
                                                            (13 1)
                                                            (19 1))
                                                           (C
                                                            (4 1)
                                                            (8 1)
                                                            (20 1))
                                                           (C
                                                            (7 1)
                                                            (9 1)
                                                            (21 1))
                                                           (C
                                                            (10 1)
                                                            (18 1)
                                                            (19 1))
                                                           (C
                                                            (11 1)
                                                            (17 1)
                                                            (20 1))
                                                           (C
                                                            (14 1)
                                                            (17 1)
                                                            (21 1))
                                                           (C
                                                            (1 1)
                                                            (13 1)
                                                            (15 1)
                                                            (18 1))
                                                           (C
                                                            (2 1)
                                                            (12 1)
                                                            (16 1)
                                                            (19 1))))
(17-Alpha-Hydroxysteroids "a 17-alpha-hydroxysteroid" NIL ((C (20 1))
                                                           (C (21 1))
                                                           (O (14 1))
                                                           (O (15 1))
                                                           (C
                                                            (9 1)
                                                            (15 1))
                                                           (C
                                                            (7 1)
                                                            (16 1))
                                                           (C
                                                            (6 1)
                                                            (17 1))
                                                           (C
                                                            (12 1)
                                                            (14 1))
                                                           (C
                                                            (5 1)
                                                            (18 1))
                                                           (C
                                                            (13 1)
                                                            (19 1))
                                                           (C
                                                            (14 1)
                                                            (17 1))
                                                           (C
                                                            (8 1)
                                                            (21 1))
                                                           (C
                                                            (10 1)
                                                            (20 1))
                                                           (C
                                                            (3 1)
                                                            (8 1)
                                                            (11 1))
                                                           (C
                                                            (4 1)
                                                            (5 1)
                                                            (20 1))
                                                           (C
                                                            (6 1)
                                                            (18 1)
                                                            (19 1))
                                                           (C
                                                            (7 1)
                                                            (11 1)
                                                            (21 1))
                                                           (C
                                                            (9 1)
                                                            (16 1)
                                                            (20 1))
                                                           (C
                                                            (10 1)
                                                            (16 1)
                                                            (21 1))
                                                           (C
                                                            (1 1)
                                                            (13 1)
                                                            (15 1)
                                                            (18 1))
                                                           (C
                                                            (2 1)
                                                            (12 1)
                                                            (17 1)
                                                            (19 1))))
(21-Hydroxysteroids "a 21-hydroxysteroid" NIL ((C (22 1))
                                               (C (23 1))
                                               (O (5 1))
                                               (R (16 1))
                                               (C (3 1) (16 1))
                                               (C (7 1) (8 1))
                                               (C (6 1) (14 1))
                                               (C (6 1) (17 1))
                                               (C (10 1) (17 1))
                                               (C (9 1) (18 1))
                                               (C (12 1) (19 1))
                                               (C (11 1) (20 1))
                                               (C (15 1) (21 1))
                                               (C (7 1) (22 1))
                                               (C (13 1) (23 1))
                                               (C (4 1) (5 1) (19 1))
                                               (C (8 1) (9 1) (22 1))
                                               (C (10 1) (20 1) (21 1))
                                               (C (11 1) (16 1) (23 1))
                                               (C (12 1) (18 1) (23 1))
                                               (C (13 1) (18 1) (22 1))
                                               (C
                                                (1 1)
                                                (14 1)
                                                (17 1)
                                                (21 1))
                                               (C
                                                (2 1)
                                                (15 1)
                                                (19 1)
                                                (20 1))))
(3b-hydroxy-D5-steroids "a 3beta-hydroxy-delta5-steroid" NIL ((C
                                                               (20 1))
                                                              (C
                                                               (21 1))
                                                              (O
                                                               (15 1))
                                                              (R
                                                               (16 1))
                                                              (C
                                                               (6 1)
                                                               (14 2))
                                                              (C
                                                               (5 1)
                                                               (17 1))
                                                              (C
                                                               (9 1)
                                                               (16 1))
                                                              (C
                                                               (11 1)
                                                               (15 1))
                                                              (C
                                                               (7 1)
                                                               (19 1))
                                                              (C
                                                               (12 1)
                                                               (18 1))
                                                              (C
                                                               (8 1)
                                                               (20 1))
                                                              (C
                                                               (10 1)
                                                               (21 1))
                                                              (C
                                                               (14 1)
                                                               (15 1))
                                                              (C
                                                               (5 2)
                                                               (13 1)
                                                               (20 1))
                                                              (C
                                                               (3 1)
                                                               (8 1)
                                                               (13 1))
                                                              (C
                                                               (4 1)
                                                               (7 1)
                                                               (21 1))
                                                              (C
                                                               (6 1)
                                                               (18 1)
                                                               (19 1))
                                                              (C
                                                               (10 1)
                                                               (17 1)
                                                               (20 1))
                                                              (C
                                                               (9 1)
                                                               (17 1)
                                                               (21 1))
                                                              (C
                                                               (1 1)
                                                               (11 1)
                                                               (14 1)
                                                               (18 1))
                                                              (C
                                                               (2 1)
                                                               (12 1)
                                                               (16 1)
                                                               (19 1))))
(7-Beta-Hydroxysteroids "a 7-beta-hydroxysteroid" NIL ((C (20 1))
                                                       (C (21 1))
                                                       (O (14 1))
                                                       (R (15 1))
                                                       (C (6 1) (7 1))
                                                       (C (5 1) (11 1))
                                                       (C (5 1) (16 1))
                                                       (C (9 1) (15 1))
                                                       (C (8 1) (17 1))
                                                       (C
                                                        (12 1)
                                                        (18 1))
                                                       (C (6 1) (21 1))
                                                       (C
                                                        (10 1)
                                                        (20 1))
                                                       (C
                                                        (14 1)
                                                        (16 1))
                                                       (C
                                                        (3 1)
                                                        (13 1)
                                                        (19 1))
                                                       (C
                                                        (4 1)
                                                        (8 1)
                                                        (20 1))
                                                       (C
                                                        (7 1)
                                                        (13 1)
                                                        (21 1))
                                                       (C
                                                        (9 1)
                                                        (19 1)
                                                        (20 1))
                                                       (C
                                                        (10 1)
                                                        (19 1)
                                                        (21 1))
                                                       (C
                                                        (14 1)
                                                        (17 1)
                                                        (18 1))
                                                       (C
                                                        (1 1)
                                                        (12 1)
                                                        (15 1)
                                                        (17 1))
                                                       (C
                                                        (2 1)
                                                        (11 1)
                                                        (16 1)
                                                        (18 1))))
(11-Oxosteroids "an 11-oxosteroid" NIL ((C (20 1))
                                        (C (21 1))
                                        (O (14 2))
                                        (R (15 1))
                                        (C (6 1) (7 1))
                                        (C (5 1) (12 1))
                                        (C (5 1) (16 1))
                                        (C (11 1) (15 1))
                                        (C (10 1) (16 1))
                                        (C (9 1) (17 1))
                                        (C (8 1) (18 1))
                                        (C (6 1) (21 1))
                                        (C (14 1) (20 1))
                                        (C (3 2) (13 1) (19 1))
                                        (C (4 1) (8 1) (20 1))
                                        (C (7 1) (9 1) (21 1))
                                        (C (10 1) (18 1) (19 1))
                                        (C (11 1) (17 1) (20 1))
                                        (C (14 1) (17 1) (21 1))
                                        (C (1 1) (13 1) (15 1) (18 1))
                                        (C (2 1) (12 1) (16 1) (19 1))))
(3-Oxosteroids "a 3-oxosteroid" NIL ((C (20 1))
                                     (C (21 1))
                                     (O (14 2))
                                     (R (15 1))
                                     (C (11 1) (14 1))
                                     (C (9 1) (15 1))
                                     (C (8 1) (16 1))
                                     (C (7 1) (17 1))
                                     (C (6 1) (18 1))
                                     (C (12 1) (19 1))
                                     (C (5 1) (21 1))
                                     (C (10 1) (20 1))
                                     (C (14 1) (16 1))
                                     (C (3 2) (5 1) (13 1))
                                     (C (4 1) (6 1) (20 1))
                                     (C (7 1) (13 1) (21 1))
                                     (C (8 1) (18 1) (19 1))
                                     (C (9 1) (17 1) (20 1))
                                     (C (10 1) (17 1) (21 1))
                                     (C (1 1) (12 1) (15 1) (18 1))
                                     (C (2 1) (11 1) (16 1) (19 1))))
(7-Oxosteroids "a 7-oxosteroid" NIL ((C (20 1))
                                     (C (21 1))
                                     (O (14 2))
                                     (R (15 1))
                                     (C (6 1) (7 1))
                                     (C (5 1) (11 1))
                                     (C (5 1) (16 1))
                                     (C (9 1) (15 1))
                                     (C (8 1) (17 1))
                                     (C (12 1) (18 1))
                                     (C (6 1) (21 1))
                                     (C (10 1) (20 1))
                                     (C (14 1) (16 1))
                                     (C (3 2) (13 1) (19 1))
                                     (C (4 1) (8 1) (20 1))
                                     (C (7 1) (13 1) (21 1))
                                     (C (9 1) (19 1) (20 1))
                                     (C (10 1) (19 1) (21 1))
                                     (C (14 1) (17 1) (18 1))
                                     (C (1 1) (12 1) (15 1) (17 1))
                                     (C (2 1) (11 1) (16 1) (18 1))))
(3-Oxo-5-Alpha-Steroids "a 3-oxo-5-alpha-steroid" NIL ((H (20 1))
                                                       (C (21 1))
                                                       (C (22 1))
                                                       (O (15 2))
                                                       (R (16 1))
                                                       (C
                                                        (11 1)
                                                        (15 1))
                                                       (C (8 1) (16 1))
                                                       (C (7 1) (18 1))
                                                       (C
                                                        (12 1)
                                                        (17 1))
                                                       (C
                                                        (13 1)
                                                        (19 1))
                                                       (C (6 1) (22 1))
                                                       (C (9 1) (20 1))
                                                       (C
                                                        (10 1)
                                                        (21 1))
                                                       (C
                                                        (15 1)
                                                        (20 1))
                                                       (C
                                                        (4 2)
                                                        (6 1)
                                                        (14 1))
                                                       (C
                                                        (5 1)
                                                        (7 1)
                                                        (21 1))
                                                       (C
                                                        (9 1)
                                                        (18 1)
                                                        (19 1))
                                                       (C
                                                        (8 1)
                                                        (17 1)
                                                        (21 1))
                                                       (C
                                                        (10 1)
                                                        (17 1)
                                                        (22 1))
                                                       (C
                                                        (1 1)
                                                        (12 1)
                                                        (14 1)
                                                        (22 1))
                                                       (C
                                                        (2 1)
                                                        (13 1)
                                                        (16 1)
                                                        (18 1))
                                                       (C
                                                        (3 1)
                                                        (11 1)
                                                        (19 1)
                                                        (20 1))))
(3-Oxo-5-Beta-Steroids "a 3-oxo-5-beta-steroid" NIL ((H (20 1))
                                                     (C (21 1))
                                                     (C (22 1))
                                                     (O (15 2))
                                                     (R (16 1))
                                                     (C (11 1) (15 1))
                                                     (C (8 1) (16 1))
                                                     (C (7 1) (18 1))
                                                     (C (12 1) (17 1))
                                                     (C (13 1) (19 1))
                                                     (C (6 1) (22 1))
                                                     (C (9 1) (20 1))
                                                     (C (10 1) (21 1))
                                                     (C (15 1) (20 1))
                                                     (C
                                                      (4 2)
                                                      (6 1)
                                                      (14 1))
                                                     (C
                                                      (5 1)
                                                      (7 1)
                                                      (21 1))
                                                     (C
                                                      (9 1)
                                                      (18 1)
                                                      (19 1))
                                                     (C
                                                      (8 1)
                                                      (17 1)
                                                      (21 1))
                                                     (C
                                                      (10 1)
                                                      (17 1)
                                                      (22 1))
                                                     (C
                                                      (1 1)
                                                      (12 1)
                                                      (14 1)
                                                      (22 1))
                                                     (C
                                                      (2 1)
                                                      (13 1)
                                                      (16 1)
                                                      (18 1))
                                                     (C
                                                      (3 1)
                                                      (11 1)
                                                      (19 1)
                                                      (20 1))))
(3-oxo-D5-steroids "a 3-oxo-delta5-steroid" NIL ((C (20 1))
                                                 (C (21 1))
                                                 (O (14 2))
                                                 (R (16 1))
                                                 (C (6 1) (15 2))
                                                 (C (5 1) (17 1))
                                                 (C (12 1) (14 1))
                                                 (C (14 1) (15 1))
                                                 (C (10 1) (16 1))
                                                 (C (9 1) (19 1))
                                                 (C (13 1) (18 1))
                                                 (C (7 1) (20 1))
                                                 (C (11 1) (21 1))
                                                 (C (3 2) (7 1) (8 1))
                                                 (C (5 2) (8 1) (20 1))
                                                 (C (4 1) (9 1) (21 1))
                                                 (C
                                                  (6 1)
                                                  (18 1)
                                                  (19 1))
                                                 (C
                                                  (11 1)
                                                  (17 1)
                                                  (20 1))
                                                 (C
                                                  (10 1)
                                                  (17 1)
                                                  (21 1))
                                                 (C
                                                  (1 1)
                                                  (12 1)
                                                  (15 1)
                                                  (18 1))
                                                 (C
                                                  (2 1)
                                                  (13 1)
                                                  (16 1)
                                                  (19 1))))
(3-Oxo-Delta-1-Steroids "a 3-oxo-D1-steroid" NIL ((C (20 1))
                                                  (C (21 1))
                                                  (O (14 2))
                                                  (R (15 1))
                                                  (C (6 2) (14 1))
                                                  (C (5 2) (20 1))
                                                  (C (10 1) (15 1))
                                                  (C (9 1) (16 1))
                                                  (C (8 1) (17 1))
                                                  (C (7 1) (19 1))
                                                  (C (12 1) (18 1))
                                                  (C (11 1) (21 1))
                                                  (C (14 1) (16 1))
                                                  (C
                                                   (3 2)
                                                   (5 1)
                                                   (13 1))
                                                  (C
                                                   (4 1)
                                                   (7 1)
                                                   (21 1))
                                                  (C
                                                   (8 1)
                                                   (13 1)
                                                   (20 1))
                                                  (C
                                                   (9 1)
                                                   (18 1)
                                                   (19 1))
                                                  (C
                                                   (11 1)
                                                   (17 1)
                                                   (20 1))
                                                  (C
                                                   (10 1)
                                                   (17 1)
                                                   (21 1))
                                                  (C
                                                   (1 1)
                                                   (6 1)
                                                   (16 1)
                                                   (18 1))
                                                  (C
                                                   (2 1)
                                                   (12 1)
                                                   (15 1)
                                                   (19 1))))
(3-Oxo-Delta-4-Steroids "a 3-oxo-delta4-steroid" NIL ((C (20 1))
                                                      (C (21 1))
                                                      (O (14 2))
                                                      (R (16 1))
                                                      (C (14 1) (15 2))
                                                      (C (8 1) (15 1))
                                                      (C (12 1) (14 1))
                                                      (C (6 1) (17 1))
                                                      (C (10 1) (16 1))
                                                      (C (9 1) (19 1))
                                                      (C (13 1) (18 1))
                                                      (C (7 1) (20 1))
                                                      (C (11 1) (21 1))
                                                      (C
                                                       (3 2)
                                                       (5 1)
                                                       (7 1))
                                                      (C
                                                       (5 2)
                                                       (6 1)
                                                       (20 1))
                                                      (C
                                                       (4 1)
                                                       (9 1)
                                                       (21 1))
                                                      (C
                                                       (8 1)
                                                       (18 1)
                                                       (19 1))
                                                      (C
                                                       (11 1)
                                                       (17 1)
                                                       (20 1))
                                                      (C
                                                       (10 1)
                                                       (17 1)
                                                       (21 1))
                                                      (C
                                                       (1 1)
                                                       (12 1)
                                                       (15 1)
                                                       (18 1))
                                                      (C
                                                       (2 1)
                                                       (13 1)
                                                       (16 1)
                                                       (19 1))))
(3-Beta-Hydroxysterols "a 3-beta-hydroxysterol" NIL ((C (20 1))
                                                     (C (21 1))
                                                     (O (14 1))
                                                     (R1 (15 1))
                                                     (C (9 1) (15 1))
                                                     (C (8 1) (16 1))
                                                     (C (11 1) (14 1))
                                                     (C (6 1) (17 1))
                                                     (C (5 1) (18 1))
                                                     (C (12 1) (19 1))
                                                     (C (7 1) (21 1))
                                                     (C (10 1) (20 1))
                                                     (C (14 1) (16 1))
                                                     (C
                                                      (3 1)
                                                      (7 1)
                                                      (13 1))
                                                     (C
                                                      (4 1)
                                                      (5 1)
                                                      (20 1))
                                                     (C
                                                      (6 1)
                                                      (13 1)
                                                      (21 1))
                                                     (C
                                                      (8 1)
                                                      (18 1)
                                                      (19 1))
                                                     (C
                                                      (9 1)
                                                      (17 1)
                                                      (20 1))
                                                     (C
                                                      (10 1)
                                                      (17 1)
                                                      (21 1))
                                                     (C
                                                      (1 1)
                                                      (12 1)
                                                      (15 1)
                                                      (18 1))
                                                     (C
                                                      (2 1)
                                                      (11 1)
                                                      (16 1)
                                                      (19 1))))
(O-Glucosylsterols "an O-glucosylsterol" NIL ((C (2 1) (18 1))
                                              (C (1 1) (3 1))
                                              (C (2 1) (4 1) (21 1))
                                              (C (3 1) (5 1))
                                              (C (4 1) (18 1) (6 1))
                                              (C (5 1) (7 1))
                                              (C (6 1) (8 1))
                                              (C (7 1) (12 1) (9 1))
                                              (C (18 1) (8 1) (11 1))
                                              (C (11 1) (16 1))
                                              (C (9 1) (10 1))
                                              (C (8 1) (14 1) (16 1))
                                              (C (16 1) (15 1) (20 1))
                                              (C (12 1) (15 1))
                                              (C (13 1) (14 1))
                                              (C
                                               (10 1)
                                               (12 1)
                                               (13 1)
                                               (17 1))
                                              (C (16 1))
                                              (C
                                               (1 1)
                                               (9 1)
                                               (5 1)
                                               (19 1))
                                              (C (18 1))
                                              (R1 (13 1))
                                              (O (3 1) (22 1))
                                              (C (21 1) (26 1) (27 1))
                                              (C (27 1) (24 1) (31 1))
                                              (C (23 1) (25 1) (30 1))
                                              (C (24 1) (26 1) (29 1))
                                              (C (22 1) (25 1) (28 1))
                                              (O (22 1) (23 1))
                                              (O (26 1))
                                              (O (25 1))
                                              (O (24 1))
                                              (C (23 1) (32 1))
                                              (O (31 1))))
(1-Alkenyl-2-acyl-glyceroPethamines "a 1-alkenyl-2-acylglycerophosphoethanolamine" NIL ((C
                                                                                         (6
                                                                                          1)
                                                                                         (2
                                                                                          1))
                                                                                        (C
                                                                                         (11
                                                                                          1)
                                                                                         (1
                                                                                          1))
                                                                                        (C
                                                                                         (4
                                                                                          1)
                                                                                         (10
                                                                                          1))
                                                                                        (C
                                                                                         (5
                                                                                          1)
                                                                                         (16
                                                                                          1)
                                                                                         (3
                                                                                          1))
                                                                                        (C
                                                                                         (12
                                                                                          1)
                                                                                         (4
                                                                                          1))
                                                                                        (N
                                                                                         (1
                                                                                          1))
                                                                                        (P
                                                                                         (9
                                                                                          1)
                                                                                         (8
                                                                                          2)
                                                                                         (10
                                                                                          1)
                                                                                         (11
                                                                                          1))
                                                                                        (O
                                                                                         (7
                                                                                          2))
                                                                                        (O
                                                                                         (7
                                                                                          1))
                                                                                        (O
                                                                                         (3
                                                                                          1)
                                                                                         (7
                                                                                          1))
                                                                                        (O
                                                                                         (7
                                                                                          1)
                                                                                         (2
                                                                                          1))
                                                                                        (O
                                                                                         (13
                                                                                          1)
                                                                                         (5
                                                                                          1))
                                                                                        (C
                                                                                         (14
                                                                                          2)
                                                                                         (12
                                                                                          1))
                                                                                        (C
                                                                                         (15
                                                                                          1)
                                                                                         (13
                                                                                          2))
                                                                                        (R1
                                                                                         (14
                                                                                          1))
                                                                                        (O
                                                                                         (4
                                                                                          1)
                                                                                         (17
                                                                                          1))
                                                                                        (C
                                                                                         (16
                                                                                          1)
                                                                                         (18
                                                                                          1)
                                                                                         (19
                                                                                          2))
                                                                                        (C
                                                                                         (17
                                                                                          1)
                                                                                         (20
                                                                                          1))
                                                                                        (O
                                                                                         (17
                                                                                          2))
                                                                                        (R2
                                                                                         (18
                                                                                          1))))
(1-Alkenylglycerophosphoethanolamines "a 1-alkenylglycerophosphoethanolamine" NIL ((C
                                                                                    (2
                                                                                     1)
                                                                                    (6
                                                                                     1))
                                                                                   (C
                                                                                    (1
                                                                                     1)
                                                                                    (11
                                                                                     1))
                                                                                   (C
                                                                                    (10
                                                                                     1)
                                                                                    (4
                                                                                     1))
                                                                                   (C
                                                                                    (3
                                                                                     1)
                                                                                    (12
                                                                                     1)
                                                                                    (5
                                                                                     1))
                                                                                   (C
                                                                                    (4
                                                                                     1)
                                                                                    (13
                                                                                     1))
                                                                                   (N
                                                                                    (1
                                                                                     1))
                                                                                   (P
                                                                                    (11
                                                                                     1)
                                                                                    (10
                                                                                     1)
                                                                                    (8
                                                                                     2)
                                                                                    (9
                                                                                     1))
                                                                                   (O
                                                                                    (7
                                                                                     2))
                                                                                   (O
                                                                                    (7
                                                                                     1))
                                                                                   (O
                                                                                    (7
                                                                                     1)
                                                                                    (3
                                                                                     1))
                                                                                   (O
                                                                                    (2
                                                                                     1)
                                                                                    (7
                                                                                     1))
                                                                                   (O
                                                                                    (4
                                                                                     1))
                                                                                   (O
                                                                                    (5
                                                                                     1)
                                                                                    (14
                                                                                     1))
                                                                                   (C
                                                                                    (13
                                                                                     1)
                                                                                    (15
                                                                                     2))
                                                                                   (C
                                                                                    (14
                                                                                     2)
                                                                                    (16
                                                                                     1))
                                                                                   (R1
                                                                                    (15
                                                                                     1))))
(1-Alkyl-sn-glycero-3-phosphocholines "a 1-alkyl-sn-glycero-3-phosphocholine" NIL ((C
                                                                                    (16
                                                                                     1))
                                                                                   (C
                                                                                    (16
                                                                                     1))
                                                                                   (C
                                                                                    (16
                                                                                     1))
                                                                                   (O
                                                                                    (17
                                                                                     2))
                                                                                   (O
                                                                                    (15
                                                                                     1))
                                                                                   (O
                                                                                    (17
                                                                                     1))
                                                                                   (R1
                                                                                    (12
                                                                                     1))
                                                                                   (C
                                                                                    (13
                                                                                     1)
                                                                                    (9
                                                                                     1))
                                                                                   (C
                                                                                    (16
                                                                                     1)
                                                                                    (8
                                                                                     1))
                                                                                   (C
                                                                                    (15
                                                                                     1)
                                                                                    (12
                                                                                     1))
                                                                                   (C
                                                                                    (15
                                                                                     1)
                                                                                    (14
                                                                                     1))
                                                                                   (O
                                                                                    (10
                                                                                     1)
                                                                                    (7
                                                                                     1))
                                                                                   (O
                                                                                    (17
                                                                                     1)
                                                                                    (8
                                                                                     1))
                                                                                   (O
                                                                                    (17
                                                                                     1)
                                                                                    (11
                                                                                     1))
                                                                                   (C
                                                                                    (11
                                                                                     1)
                                                                                    (10
                                                                                     1)
                                                                                    (5
                                                                                     1))
                                                                                   (N
                                                                                    (+
                                                                                     1)
                                                                                    (9
                                                                                     1)
                                                                                    (3
                                                                                     1)
                                                                                    (2
                                                                                     1)
                                                                                    (1
                                                                                     1))
                                                                                   (P
                                                                                    (14
                                                                                     1)
                                                                                    (13
                                                                                     1)
                                                                                    (6
                                                                                     1)
                                                                                    (4
                                                                                     2))))
(1-Alkyl-sn-glycerol-3-phosphates "a 1-alkyl-sn-glycerol-3-phosphate" NIL ((C
                                                                            (5
                                                                             1)
                                                                            (8
                                                                             1))
                                                                           (O
                                                                            (6
                                                                             1))
                                                                           (O
                                                                            (9
                                                                             1)
                                                                            (7
                                                                             1))
                                                                           (O
                                                                            (6
                                                                             1))
                                                                           (O
                                                                            (6
                                                                             1)
                                                                            (1
                                                                             1))
                                                                           (P
                                                                            (10
                                                                             2)
                                                                            (5
                                                                             1)
                                                                            (4
                                                                             1)
                                                                            (2
                                                                             1))
                                                                           (R1
                                                                            (3
                                                                             1))
                                                                           (C
                                                                            (11
                                                                             1)
                                                                            (9
                                                                             1)
                                                                            (1
                                                                             1))
                                                                           (C
                                                                            (3
                                                                             1)
                                                                            (8
                                                                             1))
                                                                           (O
                                                                            (6
                                                                             2))
                                                                           (O
                                                                            (8
                                                                             1))))
(12-EPOXYPROPANE "a 1,2-epoxypropane" NIL ((C (2 1) (4 1))
                                           (O (1 1) (4 1))
                                           (C (4 1))
                                           (C (1 1) (2 1) (3 1) (5 1))
                                           (H (4 1))))
(Acyl-Phosphates "an acyl phosphate" NIL ((O (7 2))
                                          (O (8 2))
                                          (O (8 1))
                                          (O (8 1))
                                          (R (7 1))
                                          (O (7 1) (8 1))
                                          (C (1 2) (5 1) (6 1))
                                          (P (2 2) (3 1) (4 1) (6 1))))
(Acylcholines "an acylcholine" NIL ((C (10 1))
                                    (C (10 1))
                                    (C (10 1))
                                    (O (9 2))
                                    (R (9 1))
                                    (C (7 1) (8 1))
                                    (C (6 1) (10 1))
                                    (O (6 1) (9 1))
                                    (C (4 2) (5 1) (8 1))
                                    (N (+ 1) (1 1) (2 1) (3 1) (7 1))))
(Alkyl-acetyl-glycero-phosphocholines "a 1-alkyl-2-acetyl-sn-glycero-3-phosphocholine" NIL ((C
                                                                                             (17
                                                                                              1))
                                                                                            (C
                                                                                             (19
                                                                                              1))
                                                                                            (C
                                                                                             (19
                                                                                              1))
                                                                                            (C
                                                                                             (19
                                                                                              1))
                                                                                            (O
                                                                                             (17
                                                                                              2))
                                                                                            (O
                                                                                             (20
                                                                                              2))
                                                                                            (O
                                                                                             (20
                                                                                              1))
                                                                                            (R1
                                                                                             (13
                                                                                              1))
                                                                                            (C
                                                                                             (14
                                                                                              1)
                                                                                             (12
                                                                                              1))
                                                                                            (C
                                                                                             (18
                                                                                              1)
                                                                                             (13
                                                                                              1))
                                                                                            (C
                                                                                             (18
                                                                                              1)
                                                                                             (15
                                                                                              1))
                                                                                            (C
                                                                                             (19
                                                                                              1)
                                                                                             (9
                                                                                              1))
                                                                                            (O
                                                                                             (10
                                                                                              1)
                                                                                             (8
                                                                                              1))
                                                                                            (O
                                                                                             (20
                                                                                              1)
                                                                                             (9
                                                                                              1))
                                                                                            (O
                                                                                             (20
                                                                                              1)
                                                                                             (11
                                                                                              1))
                                                                                            (O
                                                                                             (18
                                                                                              1)
                                                                                             (17
                                                                                              1))
                                                                                            (C
                                                                                             (16
                                                                                              1)
                                                                                             (5
                                                                                              2)
                                                                                             (1
                                                                                              1))
                                                                                            (C
                                                                                             (16
                                                                                              1)
                                                                                             (11
                                                                                              1)
                                                                                             (10
                                                                                              1))
                                                                                            (N
                                                                                             (+
                                                                                              1)
                                                                                             (12
                                                                                              1)
                                                                                             (4
                                                                                              1)
                                                                                             (3
                                                                                              1)
                                                                                             (2
                                                                                              1))
                                                                                            (P
                                                                                             (15
                                                                                              1)
                                                                                             (14
                                                                                              1)
                                                                                             (7
                                                                                              1)
                                                                                             (6
                                                                                              2))))
(Alkyl-Sulfenates "an S-alkylsulfenate" NIL ((S (3 1) (2 1))
                                             (O (1 1))
                                             (R1 (1 1))))
(Anthocyanidins "an anthocyanidin" NIL ((O (13 1))
                                        (O (14 1))
                                        (O (15 1))
                                        (O (18 1))
                                        (R1 (16 1))
                                        (R1 (17 1))
                                        (C
                                         (15 :AROMATIC)
                                         (13 :AROMATIC))
                                        (C
                                         (19 :AROMATIC)
                                         (16 :AROMATIC))
                                        (C
                                         (19 :AROMATIC)
                                         (17 :AROMATIC))
                                        (C
                                         (21 :AROMATIC)
                                         (13 :AROMATIC))
                                        (C
                                         (22 :AROMATIC)
                                         (14 :AROMATIC))
                                        (O
                                         (+ 1)
                                         (21 :AROMATIC)
                                         (20 :AROMATIC))
                                        (C
                                         (10 :AROMATIC)
                                         (7 :AROMATIC)
                                         (1 1))
                                        (C
                                         (20 :AROMATIC)
                                         (11 :AROMATIC)
                                         (2 1))
                                        (C
                                         (22 :AROMATIC)
                                         (7 :AROMATIC)
                                         (3 1))
                                        (C
                                         (18 :AROMATIC)
                                         (8 :AROMATIC)
                                         (5 1))
                                        (C
                                         (18 :AROMATIC)
                                         (9 :AROMATIC)
                                         (6 1))
                                        (C
                                         (17 :AROMATIC)
                                         (16 :AROMATIC)
                                         (4 1))
                                        (C
                                         (20 1)
                                         (9 :AROMATIC)
                                         (8 :AROMATIC))
                                        (C
                                         (19 1)
                                         (14 :AROMATIC)
                                         (12 :AROMATIC))
                                        (C
                                         (22 :AROMATIC)
                                         (12 :AROMATIC)
                                         (10 :AROMATIC))
                                        (C
                                         (21 :AROMATIC)
                                         (15 :AROMATIC)
                                         (11 :AROMATIC))))
(CDPDIACYLGLYCEROL "a CDP-diacylglycerol" NIL ((N (16 1))
                                               (O (17 2))
                                               (O (23 2))
                                               (O (24 2))
                                               (O (18 1))
                                               (O (19 1))
                                               (O (23 1))
                                               (O (24 1))
                                               (C
                                                (16 :AROMATIC)
                                                (10 :AROMATIC))
                                               (C
                                                (22 :AROMATIC)
                                                (9 :AROMATIC))
                                               (C (20 1) (13 1))
                                               (N
                                                (17 :AROMATIC)
                                                (16 :AROMATIC))
                                               (O (24 1) (11 1))
                                               (O (21 1) (20 1))
                                               (O (24 1) (23 1))
                                               (C
                                                (12 :AROMATIC)
                                                (9 :AROMATIC)
                                                (1 1))
                                               (C
                                                (22 :AROMATIC)
                                                (12 :AROMATIC)
                                                (2 2))
                                               (C (20 1) (19 1) (5 1))
                                               (C (21 1) (18 1) (6 1))
                                               (C (18 1) (14 1) (11 1))
                                               (C (22 1) (19 1) (14 1))
                                               (N
                                                (21 1)
                                                (17 :AROMATIC)
                                                (10 :AROMATIC))
                                               (P
                                                (15 1)
                                                (25 1)
                                                (7 1)
                                                (3 2))
                                               (P
                                                (15 1)
                                                (13 1)
                                                (8 1)
                                                (4 2))
                                               (O (23 1) (26 1))
                                               (C (25 1) (27 1))
                                               (C (26 1) (33 1) (31 1))
                                               (O (34 2))
                                               (O (35 2))
                                               (R1 (35 1))
                                               (C (27 1) (32 1))
                                               (O (31 1) (34 1))
                                               (O (27 1) (35 1))
                                               (C (28 2) (32 1) (36 1))
                                               (C (29 2) (30 1) (33 1))
                                               (R2 (34 1))))
(CHITIN "a chitin" NIL ((H (18 1)) (H (19 1)) (H (20 1)) (H (21 1))
                        (H (22 1)) (C (17 1)) (O (17 2)) (O (12 1))
                        (O (18 1)) (R (14 1)) (R (15 1))
                        (C (8 1) (19 1)) (N (17 1) (21 1))
                        (O (10 1) (20 1)) (O (11 1) (22 1))
                        (O (19 1) (20 1)) (C (6 1) (7 2) (13 1))
                        (C (1 1) (9 1) (21 1) (22 1))
                        (C (2 1) (12 1) (16 1) (22 1))
                        (C (3 1) (14 1) (16 1) (21 1))
                        (C (4 1) (13 1) (18 1) (20 1))
                        (C (5 1) (15 1) (18 1) (19 1))))
(Chondroitin-sulfates "chondroitin-sulfate" NIL ((C (39 1))
                                                 (C (40 1))
                                                 (O (39 2))
                                                 (O (40 2))
                                                 (O (41 2))
                                                 (O (42 2))
                                                 (O (63 2))
                                                 (O (63 2))
                                                 (O (64 2))
                                                 (O (64 2))
                                                 (O (65 2))
                                                 (O (65 2))
                                                 (O (25 1))
                                                 (O (41 1))
                                                 (O (42 1))
                                                 (O (43 1))
                                                 (O (46 1))
                                                 (O (47 1))
                                                 (O (48 1))
                                                 (O (49 1))
                                                 (O (50 1))
                                                 (O (63 1))
                                                 (O (64 1))
                                                 (O (65 1))
                                                 (C (45 1) (13 1))
                                                 (C (44 1) (29 1))
                                                 (N (54 1) (39 1))
                                                 (N (55 1) (40 1))
                                                 (O (63 1) (26 1))
                                                 (O (44 1) (43 1))
                                                 (O (52 1) (45 1))
                                                 (O (57 1) (51 1))
                                                 (O (56 1) (53 1))
                                                 (O (58 1) (51 1))
                                                 (O (59 1) (52 1))
                                                 (O (62 1) (53 1))
                                                 (O (64 1) (60 1))
                                                 (O (65 1) (61 1))
                                                 (C (27 1) (3 2) (1 1))
                                                 (C (28 1) (4 2) (2 1))
                                                 (C
                                                  (56 1)
                                                  (14 1)
                                                  (5 2))
                                                 (C
                                                  (57 1)
                                                  (15 1)
                                                  (6 2))
                                                 (C
                                                  (54 1)
                                                  (30 1)
                                                  (16 1))
                                                 (C
                                                  (48 1)
                                                  (30 1)
                                                  (26 1))
                                                 (C
                                                  (61 1)
                                                  (31 1)
                                                  (25 1))
                                                 (C
                                                  (51 1)
                                                  (49 1)
                                                  (17 1))
                                                 (C
                                                  (56 1)
                                                  (50 1)
                                                  (18 1))
                                                 (C
                                                  (58 1)
                                                  (44 1)
                                                  (19 1))
                                                 (C
                                                  (59 1)
                                                  (46 1)
                                                  (20 1))
                                                 (C
                                                  (60 1)
                                                  (47 1)
                                                  (21 1))
                                                 (C
                                                  (46 1)
                                                  (34 1)
                                                  (32 1))
                                                 (C
                                                  (55 1)
                                                  (35 1)
                                                  (31 1))
                                                 (C
                                                  (60 1)
                                                  (36 1)
                                                  (33 1))
                                                 (C
                                                  (58 1)
                                                  (43 1)
                                                  (27 1))
                                                 (C
                                                  (62 1)
                                                  (52 1)
                                                  (28 1))
                                                 (C
                                                  (47 1)
                                                  (41 1)
                                                  (33 1))
                                                 (C
                                                  (59 1)
                                                  (42 1)
                                                  (32 1))
                                                 (C
                                                  (54 1)
                                                  (48 1)
                                                  (34 1))
                                                 (C
                                                  (57 1)
                                                  (49 1)
                                                  (35 1))
                                                 (C
                                                  (53 1)
                                                  (50 1)
                                                  (37 1))
                                                 (C
                                                  (62 1)
                                                  (45 1)
                                                  (38 1))
                                                 (C
                                                  (61 1)
                                                  (55 1)
                                                  (36 1))
                                                 (S
                                                  (29 1)
                                                  (22 1)
                                                  (8 2)
                                                  (7 2))
                                                 (S
                                                  (37 1)
                                                  (23 1)
                                                  (10 2)
                                                  (9 2))
                                                 (S
                                                  (38 1)
                                                  (24 1)
                                                  (12 2)
                                                  (11 2))))
(Cis-dec-3-enoyl-ACP "cis-3-decenoyl-ACP" NIL ((C (2 1) (6 1))
                                               (C (3 1) (1 1))
                                               (C (4 1) (2 1))
                                               (C (5 1) (3 1))
                                               (C (7 1) (4 1))
                                               (C (1 1))
                                               (C (5 1) (8 2))
                                               (C (7 2) (9 1))
                                               (C (8 1) (10 1))
                                               (C (9 1) (12 2) (11 1))
                                               (ACP (10 1))
                                               (O (10 2))))
(EPITHIONITRILES "an epithionitrile" NIL ((N (2 3))
                                          (C (1 3) (3 1))
                                          (C (2 1) (6 1))
                                          (S (6 1) (5 1))
                                          (C (4 1) (6 1))
                                          (C (3 1) (4 1) (5 1))))
(epoxides "an epoxide" NIL ((O (2 1) (3 1)) (R1 (1 1) (3 1))
                            (R2 (1 1) (2 1))))
(ISOTHIOCYANATES "an isothiocyanate" NIL ((N (4 1) (2 2))
                                          (C (3 2) (1 2))
                                          (S (2 2))
                                          (R1 (1 1))))
(Long-Chain-Acyl-CoAs "a long-chain acyl-CoA" NIL ((H (50 1))
                                                   (H (51 1))
                                                   (H (52 1))
                                                   (H (53 1))
                                                   (C (49 1))
                                                   (C (49 1))
                                                   (N (44 1))
                                                   (O (41 2))
                                                   (O (42 2))
                                                   (O (43 2))
                                                   (O (54 2))
                                                   (O (55 2))
                                                   (O (56 2))
                                                   (O (47 1))
                                                   (O (51 1))
                                                   (O (54 1))
                                                   (O (54 1))
                                                   (O (55 1))
                                                   (O (56 1))
                                                   (R (23 1))
                                                   (C
                                                    (30 :AROMATIC)
                                                    (31 :AROMATIC))
                                                   (C
                                                    (32 :AROMATIC)
                                                    (48 :AROMATIC))
                                                   (C (20 1) (42 1))
                                                   (C (26 1) (33 1))
                                                   (C (27 1) (34 1))
                                                   (C (24 1) (40 1))
                                                   (C (25 1) (41 1))
                                                   (C (35 1) (49 1))
                                                   (C (36 1) (50 1))
                                                   (N
                                                    (21 :AROMATIC)
                                                    (44 :AROMATIC))
                                                   (N
                                                    (21 :AROMATIC)
                                                    (46 :AROMATIC))
                                                   (N
                                                    (22 :AROMATIC)
                                                    (45 :AROMATIC))
                                                   (N (24 1) (41 1))
                                                   (N (25 1) (43 1))
                                                   (O (28 1) (55 1))
                                                   (O (29 1) (56 1))
                                                   (O (50 1) (52 1))
                                                   (O (53 1) (54 1))
                                                   (O (55 1) (56 1))
                                                   (S (26 1) (42 1))
                                                   (C
                                                    (8 2)
                                                    (27 1)
                                                    (33 1))
                                                   (C
                                                    (9 2)
                                                    (23 1)
                                                    (40 1))
                                                   (C
                                                    (10 2)
                                                    (34 1)
                                                    (47 1))
                                                   (C
                                                    (7 1)
                                                    (30 :AROMATIC)
                                                    (45 :AROMATIC))
                                                   (C
                                                    (32 :AROMATIC)
                                                    (44 :AROMATIC)
                                                    (46 :AROMATIC))
                                                   (C
                                                    (31 :AROMATIC)
                                                    (45 :AROMATIC)
                                                    (48 :AROMATIC))
                                                   (C
                                                    (14 1)
                                                    (43 1)
                                                    (49 1))
                                                   (N
                                                    (22 :AROMATIC)
                                                    (46 :AROMATIC)
                                                    (52 1))
                                                   (C
                                                    (5 1)
                                                    (6 1)
                                                    (28 1)
                                                    (47 1))
                                                   (C
                                                    (1 1)
                                                    (29 1)
                                                    (37 1)
                                                    (53 1))
                                                   (C
                                                    (2 1)
                                                    (15 1)
                                                    (52 1)
                                                    (53 1))
                                                   (C
                                                    (3 1)
                                                    (37 1)
                                                    (48 1)
                                                    (51 1))
                                                   (C
                                                    (4 1)
                                                    (38 1)
                                                    (50 1)
                                                    (51 1))
                                                   (P
                                                    (11 2)
                                                    (16 1)
                                                    (17 1)
                                                    (38 1))
                                                   (P
                                                    (12 2)
                                                    (18 1)
                                                    (35 1)
                                                    (39 1))
                                                   (P
                                                    (13 2)
                                                    (19 1)
                                                    (36 1)
                                                    (39 1))))
(Long-Chain-Aldehydes "a long-chain aldehyde" NIL ((C (2 1) (3 2))
                                                   (R (1 1))
                                                   (O (1 2))))
(Nitriles "a nitrile" NIL ((N (3 3)) (R (3 1)) (C (1 3) (2 1))))
(Organyl-acyl-glycero-phosphocholines "a 1-organyl-2-acyl-sn-glycero-3-phosphocholine" NIL ((C
                                                                                             (19
                                                                                              1))
                                                                                            (C
                                                                                             (19
                                                                                              1))
                                                                                            (C
                                                                                             (19
                                                                                              1))
                                                                                            (O
                                                                                             (17
                                                                                              2))
                                                                                            (O
                                                                                             (20
                                                                                              2))
                                                                                            (O
                                                                                             (20
                                                                                              1))
                                                                                            (R1
                                                                                             (13
                                                                                              1))
                                                                                            (R1
                                                                                             (17
                                                                                              1))
                                                                                            (C
                                                                                             (14
                                                                                              1)
                                                                                             (12
                                                                                              1))
                                                                                            (C
                                                                                             (18
                                                                                              1)
                                                                                             (13
                                                                                              1))
                                                                                            (C
                                                                                             (18
                                                                                              1)
                                                                                             (15
                                                                                              1))
                                                                                            (C
                                                                                             (19
                                                                                              1)
                                                                                             (9
                                                                                              1))
                                                                                            (O
                                                                                             (10
                                                                                              1)
                                                                                             (7
                                                                                              1))
                                                                                            (O
                                                                                             (20
                                                                                              1)
                                                                                             (9
                                                                                              1))
                                                                                            (O
                                                                                             (20
                                                                                              1)
                                                                                             (11
                                                                                              1))
                                                                                            (O
                                                                                             (18
                                                                                              1)
                                                                                             (17
                                                                                              1))
                                                                                            (C
                                                                                             (16
                                                                                              1)
                                                                                             (8
                                                                                              1)
                                                                                             (4
                                                                                              2))
                                                                                            (C
                                                                                             (16
                                                                                              1)
                                                                                             (11
                                                                                              1)
                                                                                             (10
                                                                                              1))
                                                                                            (N
                                                                                             (+
                                                                                              1)
                                                                                             (12
                                                                                              1)
                                                                                             (3
                                                                                              1)
                                                                                             (2
                                                                                              1)
                                                                                             (1
                                                                                              1))
                                                                                            (P
                                                                                             (15
                                                                                              1)
                                                                                             (14
                                                                                              1)
                                                                                             (6
                                                                                              1)
                                                                                             (5
                                                                                              2))))
(PLASTOQUINOL-1 "a plastoquinol" NIL ((C (42 1))
                                      (C (42 1))
                                      (C (43 1))
                                      (C (44 1))
                                      (C (45 1))
                                      (C (46 1))
                                      (C (47 1))
                                      (C (48 1))
                                      (C (49 1))
                                      (C (50 1))
                                      (C (51 1))
                                      (C (52 1))
                                      (O (54 1))
                                      (O (55 1))
                                      (C (25 1) (42 2))
                                      (C (26 1) (43 2))
                                      (C (27 1) (44 2))
                                      (C (28 1) (45 2))
                                      (C (29 1) (46 2))
                                      (C (30 1) (47 2))
                                      (C (31 1) (48 2))
                                      (C (32 1) (49 2))
                                      (C (33 1) (50 2))
                                      (C (53 2) (54 1))
                                      (C (15 1) (34 1))
                                      (C (16 1) (35 1))
                                      (C (17 1) (36 1))
                                      (C (18 1) (37 1))
                                      (C (19 1) (38 1))
                                      (C (20 1) (39 1))
                                      (C (21 1) (40 1))
                                      (C (22 1) (41 1))
                                      (C (23 1) (53 1))
                                      (C (25 1) (43 1))
                                      (C (26 1) (44 1))
                                      (C (27 1) (45 1))
                                      (C (28 1) (46 1))
                                      (C (29 1) (47 1))
                                      (C (30 1) (48 1))
                                      (C (31 1) (49 1))
                                      (C (32 1) (50 1))
                                      (C (1 1) (2 1) (15 2))
                                      (C (3 1) (16 2) (34 1))
                                      (C (4 1) (17 2) (35 1))
                                      (C (5 1) (18 2) (36 1))
                                      (C (6 1) (19 2) (37 1))
                                      (C (7 1) (20 2) (38 1))
                                      (C (8 1) (21 2) (39 1))
                                      (C (9 1) (22 2) (40 1))
                                      (C (10 1) (23 2) (41 1))
                                      (C (11 1) (52 2) (54 1))
                                      (C (12 1) (51 2) (55 1))
                                      (C (24 2) (33 1) (55 1))
                                      (C (13 1) (24 1) (51 1))
                                      (C (14 1) (52 1) (53 1))))
(R-OR-S-2-HYDROXYPROPYL-COM "a 2-hydroxypropyl-CoM" NIL ((C (10 1))
                                                         (O (11 2))
                                                         (O (11 2))
                                                         (O (10 1))
                                                         (O (11 1))
                                                         (C
                                                          (7 1)
                                                          (9 1))
                                                         (C
                                                          (6 1)
                                                          (11 1))
                                                         (C
                                                          (9 1)
                                                          (10 1))
                                                         (S
                                                          (6 1)
                                                          (8 1))
                                                         (C
                                                          (1 1)
                                                          (4 1)
                                                          (8 1))
                                                         (S
                                                          (2 2)
                                                          (3 2)
                                                          (5 1)
                                                          (7 1))))
(S-2-Haloacids "an (S)-2-haloacid" NIL ((C (4 1) (3 1) (7 1) (2 1))
                                        (R1 (1 1))
                                        (R2 (1 1))
                                        (C (1 1) (5 1) (6 2))
                                        (O (4 1))
                                        (O (4 2))
                                        (H (1 1))))
(S-Alkyl-L-Cysteine-S-Oxides "an S-alkyl-L-cysteine S-oxide" NIL ((C
                                                                   (2
                                                                    1)
                                                                   (6
                                                                    1)
                                                                   (5
                                                                    2))
                                                                  (C
                                                                   (1
                                                                    1)
                                                                   (4
                                                                    1)
                                                                   (3
                                                                    1))
                                                                  (C
                                                                   (2
                                                                    1)
                                                                   (7
                                                                    1))
                                                                  (N
                                                                   (2
                                                                    1))
                                                                  (O
                                                                   (1
                                                                    2))
                                                                  (O
                                                                   (1
                                                                    1))
                                                                  (S
                                                                   (3
                                                                    1)
                                                                   (9
                                                                    1)
                                                                   (8
                                                                    2))
                                                                  (O
                                                                   (7
                                                                    2))
                                                                  (R1
                                                                   (7
                                                                    1))))
(S-Substituted-Glutathione "a glutathione-toxin conjugate" NIL ((N
                                                                 (20
                                                                  1))
                                                                (O
                                                                 (16
                                                                  2))
                                                                (O
                                                                 (17
                                                                  2))
                                                                (O
                                                                 (18
                                                                  2))
                                                                (O
                                                                 (19
                                                                  2))
                                                                (O
                                                                 (16
                                                                  1))
                                                                (O
                                                                 (17
                                                                  1))
                                                                (R
                                                                 (15
                                                                  1))
                                                                (C
                                                                 (11 1)
                                                                 (18
                                                                  1))
                                                                (C
                                                                 (13 1)
                                                                 (16
                                                                  1))
                                                                (C
                                                                 (9 1)
                                                                 (20
                                                                  1))
                                                                (C
                                                                 (15 1)
                                                                 (21
                                                                  1))
                                                                (N
                                                                 (10 1)
                                                                 (19
                                                                  1))
                                                                (N
                                                                 (18 1)
                                                                 (21
                                                                  1))
                                                                (S
                                                                 (8 1)
                                                                 (12
                                                                  1))
                                                                (C
                                                                 (2 2)
                                                                 (6 1)
                                                                 (10
                                                                  1))
                                                                (C
                                                                 (3 2)
                                                                 (7 1)
                                                                 (20
                                                                  1))
                                                                (C
                                                                 (4 2)
                                                                 (9 1)
                                                                 (14
                                                                  1))
                                                                (C
                                                                 (5 2)
                                                                 (13 1)
                                                                 (21
                                                                  1))
                                                                (C
                                                                 (1 1)
                                                                 (11 1)
                                                                 (17
                                                                  1))
                                                                (C
                                                                 (12 1)
                                                                 (14 1)
                                                                 (19
                                                                  1))))
(THIOHYDROXIMATE-O-SULFATES "a thiohydroximate-O-sulfate" NIL ((O
                                                                (5 2))
                                                               (N
                                                                (9 2)
                                                                (4 1))
                                                               (S
                                                                (9 1))
                                                               (O
                                                                (5 1)
                                                                (2 1))
                                                               (S
                                                                (6 1)
                                                                (1 2)
                                                                (8 2)
                                                                (4 1))
                                                               (O
                                                                (- 1)
                                                                (5 1))
                                                               (R1
                                                                (9 1))
                                                               (O
                                                                (5 2))
                                                               (C
                                                                (2 2)
                                                                (3 1)
                                                                (7 1))))
(Trans-dec-2-enoyl-ACP "trans-2-decenoyl-ACP" NIL ((C (8 1) (2 1))
                                                   (C (1 1) (3 1))
                                                   (C (2 1) (4 1))
                                                   (C (3 1) (5 1))
                                                   (C (4 1) (6 1))
                                                   (C (5 1) (7 2))
                                                   (C (6 2) (10 1))
                                                   (C (1 1) (9 1))
                                                   (C (8 1))
                                                   (C
                                                    (7 1)
                                                    (12 2)
                                                    (11 1))
                                                   (ACP (10 1))
                                                   (O (10 2))))
(Aliphatic-Nitriles "an aliphatic nitrile" NIL ((N (3 3))
                                                (R (3 1))
                                                (C (1 3) (2 1))))
(DL-CARNITINE "a D,L-carnitine" NIL ((C (11 1))
                                     (C (11 1))
                                     (C (11 1))
                                     (O (9 2))
                                     (O (10 1))
                                     (O (- 1) (9 1))
                                     (C (9 1) (10 1))
                                     (C (10 1) (11 1))
                                     (C (4 2) (6 1) (7 1))
                                     (C (5 1) (7 1) (8 1))
                                     (N (+ 1) (1 1) (2 1) (3 1) (8 1))))
